N-(1,3-dimethyl-6-nitro-2-oxidanylidene-benzimidazol-5-yl)-2-(4-methylphenyl)sulfanyl-ethanamide

Systemtic Name: N-(1,3-dimethyl-6-nitro-2-oxidanylidene-benzimidazol-5-yl)-2-(4-methylphenyl)sulfanyl-ethanamide Openeye Name: N-(1,3-dimethyl-6-nitro-2-oxo-benzimidazol-5-yl)-2-(p-tolylsulfanyl)acetamide CAS Name: N-(1,3-dimethyl-6-nitro-2-oxo-5-benzimidazolyl)-2-[(4-methylphenyl)thio]acetamide IUPAC Name: N-(1,3-dimethyl-6-nitro-2-oxobenzimidazol-5-yl)-2-(4-methylphenyl)sulfanylacetamide Traditional Name: N-(2-keto-1,3-dimethyl-6-nitro-benzimidazol-5-yl)-2-(p-tolylthio)acetamide Formula: C18H18N4O4S MolecularWeight: 386.42492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC(=O)NC2=C(C=C3C(=C2)N(C(=O)N3C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)SCC(=O)NC2=C(C=C3C(=C2)N(C(=O)N3C)C)[N+](=O)[O-]

InChI

InChI=1S/C18H18N4O4S/c1-11-4-6-12(7-5-11)27-10-17(23)19-13-8-15-16(9-14(13)22(25)26)21(3)18(24)20(15)2/h4-9H,10H2,1-3H3,(H,19,23)