N-(2-methoxy-5-nitro-phenyl)-2-[2-(phenylmethylsulfanyl)benzimidazol-1-yl]ethanamide

Systemtic Name: N-(2-methoxy-5-nitro-phenyl)-2-[2-(phenylmethylsulfanyl)benzimidazol-1-yl]ethanamide Openeye Name: 2-(2-benzylsulfanylbenzimidazol-1-yl)-N-(2-methoxy-5-nitro-phenyl)acetamide CAS Name: N-(2-methoxy-5-nitrophenyl)-2-[2-(phenylmethylthio)-1-benzimidazolyl]acetamide IUPAC Name: 2-(2-benzylsulfanylbenzimidazol-1-yl)-N-(2-methoxy-5-nitrophenyl)acetamide Traditional Name: 2-[2-(benzylthio)benzimidazol-1-yl]-N-(2-methoxy-5-nitro-phenyl)acetamide Formula: C23H20N4O4S MolecularWeight: 448.4943

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CN2C3=CC=CC=C3N=C2SCC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CN2C3=CC=CC=C3N=C2SCC4=CC=CC=C4

InChI

InChI=1S/C23H20N4O4S/c1-31-21-12-11-17(27(29)30)13-19(21)24-22(28)14-26-20-10-6-5-9-18(20)25-23(26)32-15-16-7-3-2-4-8-16/h2-13H,14-15H2,1H3,(H,24,28)