N-{4-[3-(4-tert-Butyl-benzyl)-thioureidomethyl]-2-chloro-phenyl}-methanesulfonamide

Base Information

• Chemical Name: N-{4-[3-(4-tert-Butyl-benzyl)-thioureidomethyl]-2-chloro-phenyl}-methanesulfonamide
• CAS No.: 401907-30-0
• Molecular Formula: C20H26ClN3O2S2
• DSSTox Substance ID: DTXSID801107744
• ChEMBL ID: CHEMBL361931
• Mol file: 401907-30-0.mol

Synonyms:CHEMBL361931;SCHEMBL3810095;DTXSID801107744;BDBM50170264;N-{4-[3-(4-tert-Butyl-benzyl)-thioureidomethyl]-2-chloro-phenyl}-methanesulfonamide;401907-30-0;N-[2-Chloro-4-[[[[[[4-(1,1-dimethylethyl)phenyl]methyl]amino]thioxomethyl]amino]methyl]phenyl]methanesulfonamide

Chemical Property of N-{4-[3-(4-tert-Butyl-benzyl)-thioureidomethyl]-2-chloro-phenyl}-methanesulfonamide

Chemical Property:

• XLogP3: 4.2
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 439.1154971
• Heavy Atom Count: 28
• Complexity: 608

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MSDS Files:

Useful:

• Canonical SMILES: CC(C)(C)C1=CC=C(C=C1)CNC(=S)NCC2=CC(=C(C=C2)NS(=O)(=O)C)Cl

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