N-(4,5-dimethyl-2-nitro-phenyl)-2-(1-phenylbenzimidazol-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(4,5-dimethyl-2-nitro-phenyl)-2-(1-phenylbenzimidazol-2-yl)sulfanyl-ethanamide Openeye Name: N-(4,5-dimethyl-2-nitro-phenyl)-2-(1-phenylbenzimidazol-2-yl)sulfanyl-acetamide CAS Name: N-(4,5-dimethyl-2-nitrophenyl)-2-[(1-phenyl-2-benzimidazolyl)thio]acetamide IUPAC Name: N-(4,5-dimethyl-2-nitrophenyl)-2-(1-phenylbenzimidazol-2-yl)sulfanylacetamide Traditional Name: N-(4,5-dimethyl-2-nitro-phenyl)-2-[(1-phenylbenzimidazol-2-yl)thio]acetamide Formula: C23H20N4O3S MolecularWeight: 432.4949

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)[N+](=O)[O-])NC(=O)CSC2=NC3=CC=CC=C3N2C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(C=C1C)[N+](=O)[O-])NC(=O)CSC2=NC3=CC=CC=C3N2C4=CC=CC=C4

InChI

InChI=1S/C23H20N4O3S/c1-15-12-19(21(27(29)30)13-16(15)2)24-22(28)14-31-23-25-18-10-6-7-11-20(18)26(23)17-8-4-3-5-9-17/h3-13H,14H2,1-2H3,(H,24,28)