28115-92-6Relevant articles and documents
An efficient synthesis of polymethylene-bis-aroyl thiourea derivatives under the condition of phase transfer catalysis
Wei, Tai-Bao,Zhang, You-Ming,Gao, Li-Ming
, p. 493 - 500 (2000)
Reaction of polymethylene diamine with aroyl chloride and ammonium thiocyanate under the condition of solid-liquid phase transfer catalysis using polyethylene glycol-400(PEG-400) as the catalyst yielded polymethylene- bis-aroyl thiourea derivatives 3a - 3
Preparation and characterization of copper sulfide nanoparticles from symmetrical [(Bu) 2NC(S)NC(O)C 6H 3(3,5-NO 2) 2] 2Cu(II) and [(Bu) 2NC(S)NC(O)C 6H 4(4-NO 2)] 2Cu(II) complexes by thermolysis
Saeed, Sohail,Hussain, Rizwan
, p. 2942 - 2953 (2014)
Trigonal copper sulfide nanoparticles were synthesized from symmetrical [(Bu)2NC(S)NC(O)C6H3(3,5-NO2)2]2Cu(II) and [(Bu)2NC(S)NC(O)C6H4(4-NO2)]2Cu(II) complexes by thermolysis in the presence of surfactant oleylamine. The symmetrical copper complexes were
N-(4-Nitrobenzoyl)-N′-(1,5-dimethyl-3-oxo-2-phenyl-1H-3(2H) -pyrazolyl)-thiourea hydrate: Synthesis, spectroscopic characterization, X-ray structure and DFT studies
Arslan, N. Burcu,Kazak, Canan,Aydin, Fatma
, p. 30 - 38 (2012)
The title molecule (C19H17N5O 4S·H2O) was synthesized and characterized by IR-NMR spectroscopy, MS and single-crystal X-ray diffraction. The molecular geometry, vibrational frequencies and gauge-independent atomic orbital (GIAO) 1H and 13C NMR chemical shift values of the compound in the ground state have been calculated by using the density functional theory (DFT) method with 6-31G(d) basis set, and compared with the experimental data. All the assignments of the theoretical frequencies were performed by potential energy distributions using VEDA 4 program. The calculated results show that the optimized geometries can well reproduce the crystal structural parameters, and the theoretical vibrational frequencies and 1H and 13C NMR chemical shift values show good agreement with experimental data. To determine conformational flexibility, the molecular energy profile of the title compound was obtained with respect to the selected torsion angle, which was varied from -180°to +180°in steps of 10°. Besides, molecular electrostatic potential (MEP), frontier molecular orbitals (FMO) analysis and thermodynamic properties of the compound were investigated by theoretical calculations.
Theoretical and experimental verification of molecular properties of novel benzamide derivatives using computational platforms and in vitro antibacterial activity
Wanjari, Poonam M.,Mokale, Santosh N.,Bharati, Avinash V.,Ingle, Vishwas N.
, p. 655 - 663 (2021/01/07)
A series of N-(benzo[d]oxazol-2-ylcarbamothioyl)-2/4-substituted benzamides were synthesized by the reaction of 2-aminobenzoxazole with apposite benzoyl isothiocyanate. The structure of the newly synthesized compounds was confirmed by chemical tests, elemental (C, H, N, and S), and spectral (IR, 1H NMR, 13C NMR, and mass) analysis. All the synthesized compounds were evaluated experimentally for their antibacterial activity against Gram-positive and Gram-negative bacteria. The test results show moderate to potent antibacterial activity compared to the standard drug. The binding interactions of newly synthesized ligand and protein were correlated using a molecular docking study using a binding pocket of GlcN-6-P synthase. [Figure not available: see fulltext.].
Synthesis of Novel Tris-1,2,4-triazole Derivatives and Their Antibacterial Activity
Ghane, M.,Ghorbani, S. Shiroud,Montazeri, N.,Zeydi, M. M.
, p. 605 - 610 (2021/06/02)
Abstract: A series of novel 3,3′,3″-[1,3,5-triazine-2,4,6-triyltris(azanediyl)]tris(5-aryl-1H-1,2,4-triazole-1-carbothioamide) derivatives were designed and synthesized through reaction of new tris-thiourea derivatives with thiosemicarbazide and sodium hy