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

Systemtic Name: 2-methyl-3-nitro-N-[(2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)carbamothioyl]benzamide Openeye Name: 2-methyl-3-nitro-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)carbamothioyl]benzamide CAS Name: 2-methyl-3-nitro-N-[[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]-sulfanylidenemethyl]benzamide IUPAC Name: 2-methyl-3-nitro-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)carbamothioyl]benzamide Traditional Name: N-[(2-keto-1,3-dihydrobenzimidazol-5-yl)thiocarbamoyl]-2-methyl-3-nitro-benzamide Formula: C16H13N5O4S MolecularWeight: 371.37052

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC(=S)NC2=CC3=C(C=C2)NC(=O)N3

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC(=S)NC2=CC3=C(C=C2)NC(=O)N3

InChI

InChI=1S/C16H13N5O4S/c1-8-10(3-2-4-13(8)21(24)25)14(22)20-16(26)17-9-5-6-11-12(7-9)19-15(23)18-11/h2-7H,1H3,(H2,18,19,23)(H2,17,20,22,26)