2-[(E)-(4-nitrophenyl)methylideneamino]-N-phenyl-2,3-dihydrobenzimidazole-1-carbothioamide

Systemtic Name: 2-[(E)-(4-nitrophenyl)methylideneamino]-N-phenyl-2,3-dihydrobenzimidazole-1-carbothioamide Openeye Name: 2-[(E)-(4-nitrophenyl)methyleneamino]-N-phenyl-2,3-dihydrobenzimidazole-1-carbothioamide CAS Name: 2-[(E)-(4-nitrophenyl)methylideneamino]-N-phenyl-2,3-dihydrobenzimidazole-1-carbothioamide IUPAC Name: 2-[(E)-(4-nitrophenyl)methylideneamino]-N-phenyl-2,3-dihydrobenzimidazole-1-carbothioamide Traditional Name: 2-[(E)-(4-nitrobenzylidene)amino]-N-phenyl-2,3-dihydrobenzimidazole-1-carbothioamide Formula: C21H17N5O2S MolecularWeight: 403.45698

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=S)N2C(NC3=CC=CC=C32)N=CC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)NC(=S)N2C(NC3=CC=CC=C32)/N=C/C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H17N5O2S/c27-26(28)17-12-10-15(11-13-17)14-22-20-24-18-8-4-5-9-19(18)25(20)21(29)23-16-6-2-1-3-7-16/h1-14,20,24H,(H,23,29)/b22-14+