4-(4-methylphenyl)sulfanyl-3-nitro-N-(2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)benzamide

Systemtic Name: 4-(4-methylphenyl)sulfanyl-3-nitro-N-(2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)benzamide Openeye Name: 3-nitro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-4-(p-tolylsulfanyl)benzamide CAS Name: 4-[(4-methylphenyl)thio]-3-nitro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide IUPAC Name: 4-(4-methylphenyl)sulfanyl-3-nitro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide Traditional Name: N-(2-keto-1,3-dihydrobenzimidazol-5-yl)-3-nitro-4-(p-tolylthio)benzamide Formula: C21H16N4O4S MolecularWeight: 420.44114

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)C(=O)NC3=CC4=C(C=C3)NC(=O)N4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)C(=O)NC3=CC4=C(C=C3)NC(=O)N4)[N+](=O)[O-]

InChI

InChI=1S/C21H16N4O4S/c1-12-2-6-15(7-3-12)30-19-9-4-13(10-18(19)25(28)29)20(26)22-14-5-8-16-17(11-14)24-21(27)23-16/h2-11H,1H3,(H,22,26)(H2,23,24,27)