N-(1,3-dimethyl-6-nitro-2-oxidanylidene-benzimidazol-5-yl)-2-phenylsulfanyl-ethanamide

Systemtic Name: N-(1,3-dimethyl-6-nitro-2-oxidanylidene-benzimidazol-5-yl)-2-phenylsulfanyl-ethanamide Openeye Name: N-(1,3-dimethyl-6-nitro-2-oxo-benzimidazol-5-yl)-2-phenylsulfanyl-acetamide CAS Name: N-(1,3-dimethyl-6-nitro-2-oxo-5-benzimidazolyl)-2-(phenylthio)acetamide IUPAC Name: N-(1,3-dimethyl-6-nitro-2-oxobenzimidazol-5-yl)-2-phenylsulfanylacetamide Traditional Name: N-(2-keto-1,3-dimethyl-6-nitro-benzimidazol-5-yl)-2-(phenylthio)acetamide Formula: C17H16N4O4S MolecularWeight: 372.39834

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC(=C(C=C2N(C1=O)C)[N+](=O)[O-])NC(=O)CSC3=CC=CC=C3

Isomeric SMILES

CN1C2=CC(=C(C=C2N(C1=O)C)[N+](=O)[O-])NC(=O)CSC3=CC=CC=C3

InChI

InChI=1S/C17H16N4O4S/c1-19-14-8-12(13(21(24)25)9-15(14)20(2)17(19)23)18-16(22)10-26-11-6-4-3-5-7-11/h3-9H,10H2,1-2H3,(H,18,22)