N-[(4-methoxy-3-nitro-phenyl)methyl]-2-[1-(phenylmethyl)benzimidazol-2-yl]sulfanyl-ethanamide

Systemtic Name: N-[(4-methoxy-3-nitro-phenyl)methyl]-2-[1-(phenylmethyl)benzimidazol-2-yl]sulfanyl-ethanamide Openeye Name: 2-(1-benzylbenzimidazol-2-yl)sulfanyl-N-[(4-methoxy-3-nitro-phenyl)methyl]acetamide CAS Name: N-[(4-methoxy-3-nitrophenyl)methyl]-2-[[1-(phenylmethyl)-2-benzimidazolyl]thio]acetamide IUPAC Name: 2-(1-benzylbenzimidazol-2-yl)sulfanyl-N-[(4-methoxy-3-nitrophenyl)methyl]acetamide Traditional Name: 2-[(1-benzylbenzimidazol-2-yl)thio]-N-(4-methoxy-3-nitro-benzyl)acetamide Formula: C24H22N4O4S MolecularWeight: 462.52088

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)CSC2=NC3=CC=CC=C3N2CC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)CSC2=NC3=CC=CC=C3N2CC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C24H22N4O4S/c1-32-22-12-11-18(13-21(22)28(30)31)14-25-23(29)16-33-24-26-19-9-5-6-10-20(19)27(24)15-17-7-3-2-4-8-17/h2-13H,14-16H2,1H3,(H,25,29)