N-[[2-(methylamino)-5-nitro-phenyl]carbamothioyl]benzamide

Systemtic Name: N-[[2-(methylamino)-5-nitro-phenyl]carbamothioyl]benzamide Openeye Name: N-[[2-(methylamino)-5-nitro-phenyl]carbamothioyl]benzamide CAS Name: N-[[2-(methylamino)-5-nitroanilino]-sulfanylidenemethyl]benzamide IUPAC Name: N-[[2-(methylamino)-5-nitrophenyl]carbamothioyl]benzamide Traditional Name: N-[[2-(methylamino)-5-nitro-phenyl]thiocarbamoyl]benzamide Formula: C15H14N4O3S MolecularWeight: 330.36166

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)[N+](=O)[O-])NC(=S)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CNC1=C(C=C(C=C1)[N+](=O)[O-])NC(=S)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C15H14N4O3S/c1-16-12-8-7-11(19(21)22)9-13(12)17-15(23)18-14(20)10-5-3-2-4-6-10/h2-9,16H,1H3,(H2,17,18,20,23)