3-nitro-4-[(1-phenyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)sulfanyl]benzamide

Systemtic Name: 3-nitro-4-[(1-phenyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)sulfanyl]benzamide Openeye Name: 3-nitro-4-[(1-phenyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)sulfanyl]benzamide CAS Name: 3-nitro-4-[(1-phenyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)thio]benzamide IUPAC Name: 3-nitro-4-[(1-phenyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)sulfanyl]benzamide Traditional Name: 3-nitro-4-[(1-phenyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)thio]benzamide Formula: C20H18N4O3S MolecularWeight: 394.44692

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)N=C(N2C3=CC=CC=C3)SC4=C(C=C(C=C4)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1CCC2=C(C1)N=C(N2C3=CC=CC=C3)SC4=C(C=C(C=C4)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C20H18N4O3S/c21-19(25)13-10-11-18(17(12-13)24(26)27)28-20-22-15-8-4-5-9-16(15)23(20)14-6-2-1-3-7-14/h1-3,6-7,10-12H,4-5,8-9H2,(H2,21,25)