N-(4-bromophenyl)-2-[2-(phenylmethylsulfanyl)benzimidazol-1-yl]propanamide

Systemtic Name: N-(4-bromophenyl)-2-[2-(phenylmethylsulfanyl)benzimidazol-1-yl]propanamide Openeye Name: 2-(2-benzylsulfanylbenzimidazol-1-yl)-N-(4-bromophenyl)propanamide CAS Name: N-(4-bromophenyl)-2-[2-(phenylmethylthio)-1-benzimidazolyl]propanamide IUPAC Name: 2-(2-benzylsulfanylbenzimidazol-1-yl)-N-(4-bromophenyl)propanamide Traditional Name: 2-[2-(benzylthio)benzimidazol-1-yl]-N-(4-bromophenyl)propionamide Formula: C23H20BrN3OS MolecularWeight: 466.3934

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)Br)N2C3=CC=CC=C3N=C2SCC4=CC=CC=C4

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)Br)N2C3=CC=CC=C3N=C2SCC4=CC=CC=C4

InChI

InChI=1S/C23H20BrN3OS/c1-16(22(28)25-19-13-11-18(24)12-14-19)27-21-10-6-5-9-20(21)26-23(27)29-15-17-7-3-2-4-8-17/h2-14,16H,15H2,1H3,(H,25,28)