The Rosabulin with the CAS number 501948-05-6 is also called 1-Indolizineacetamide,3-[(4-cyanophenyl)methyl]-N-(3-methyl-5-isothiazolyl)-a-oxo-. The IUPAC name is 2-[3-[(4-cyanophenyl)methyl]indolizin-1-yl]-N-(3-methyl-1,2-thiazol-5-yl)-2-oxoacetamide. Its molecular formula is C₂₂H₁₆N₄O₂S. The classification code is Treatment of therapeutic resistant cancers.

The properties of the Rosabulin are: (1)ACD/LogP: 3.18; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 111; (6)ACD/BCF (pH 7.4): 115; (7)ACD/KOC (pH 5.5): 941; (8)ACD/KOC (pH 7.4): 974; (9)#H bond acceptors: 6; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 115.5 Å²; (13)Index of Refraction: 1.7; (14)Molar Refractivity: 115.05 cm³; (15)Molar Volume: 297.689 cm³; (16)Polarizability: 45.609×10^-24cm³; (17)Surface Tension: 57.213 dyne/cm.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(Nc1snc(c1)C)C(=O)c3cc(n2ccccc23)Cc4ccc(C#N)cc4
(2)InChI: InChI=1/C22H16N4O2S/c1-14-10-20(29-25-14)24-22(28)21(27)18-12-17(26-9-3-2-4-19(18)26)11-15-5-7-16(13-23)8-6-15/h2-10,12H,11H2,1H3,(H,24,28)
(3)InChIKey: IZZYUABKZYIINT-UHFFFAOYAF