4-methoxy-3-nitro-N-[(2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)carbamothioyl]benzamide

Systemtic Name: 4-methoxy-3-nitro-N-[(2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)carbamothioyl]benzamide Openeye Name: 4-methoxy-3-nitro-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)carbamothioyl]benzamide CAS Name: 4-methoxy-3-nitro-N-[[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-methoxy-3-nitro-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)carbamothioyl]benzamide Traditional Name: N-[(2-keto-1,3-dihydrobenzimidazol-5-yl)thiocarbamoyl]-4-methoxy-3-nitro-benzamide Formula: C16H13N5O5S MolecularWeight: 387.36992

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)NC(=O)N3)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)NC(=O)N3)[N+](=O)[O-]

InChI

InChI=1S/C16H13N5O5S/c1-26-13-5-2-8(6-12(13)21(24)25)14(22)20-16(27)17-9-3-4-10-11(7-9)19-15(23)18-10/h2-7H,1H3,(H2,18,19,23)(H2,17,20,22,27)