(E)-3-(3-nitrophenyl)-N-[(2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)carbamothioyl]prop-2-enamide

Systemtic Name: (E)-3-(3-nitrophenyl)-N-[(2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)carbamothioyl]prop-2-enamide Openeye Name: (E)-3-(3-nitrophenyl)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)carbamothioyl]prop-2-enamide CAS Name: (E)-3-(3-nitrophenyl)-N-[[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]-sulfanylidenemethyl]-2-propenamide IUPAC Name: (E)-3-(3-nitrophenyl)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)carbamothioyl]prop-2-enamide Traditional Name: (E)-N-[(2-keto-1,3-dihydrobenzimidazol-5-yl)thiocarbamoyl]-3-(3-nitrophenyl)acrylamide Formula: C17H13N5O4S MolecularWeight: 383.38122

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C=CC(=O)NC(=S)NC2=CC3=C(C=C2)NC(=O)N3

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])/C=C/C(=O)NC(=S)NC2=CC3=C(C=C2)NC(=O)N3

InChI

InChI=1S/C17H13N5O4S/c23-15(7-4-10-2-1-3-12(8-10)22(25)26)21-17(27)18-11-5-6-13-14(9-11)20-16(24)19-13/h1-9H,(H2,19,20,24)(H2,18,21,23,27)/b7-4+