N-(4-ethoxy-2-nitro-phenyl)-2-(1-phenylbenzimidazol-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(4-ethoxy-2-nitro-phenyl)-2-(1-phenylbenzimidazol-2-yl)sulfanyl-ethanamide Openeye Name: N-(4-ethoxy-2-nitro-phenyl)-2-(1-phenylbenzimidazol-2-yl)sulfanyl-acetamide CAS Name: N-(4-ethoxy-2-nitrophenyl)-2-[(1-phenyl-2-benzimidazolyl)thio]acetamide IUPAC Name: N-(4-ethoxy-2-nitrophenyl)-2-(1-phenylbenzimidazol-2-yl)sulfanylacetamide Traditional Name: N-(4-ethoxy-2-nitro-phenyl)-2-[(1-phenylbenzimidazol-2-yl)thio]acetamide Formula: C23H20N4O4S MolecularWeight: 448.4943

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3N2C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC(=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3N2C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H20N4O4S/c1-2-31-17-12-13-19(21(14-17)27(29)30)24-22(28)15-32-23-25-18-10-6-7-11-20(18)26(23)16-8-4-3-5-9-16/h3-14H,2,15H2,1H3,(H,24,28)