N-[[(2-methylphenyl)carbonylamino]carbamothioyl]-3-nitro-benzamide

Systemtic Name: N-[[(2-methylphenyl)carbonylamino]carbamothioyl]-3-nitro-benzamide Openeye Name: N-[[(2-methylbenzoyl)amino]carbamothioyl]-3-nitro-benzamide CAS Name: N-[[[(2-methylphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: N-[[(2-methylbenzoyl)amino]carbamothioyl]-3-nitrobenzamide Traditional Name: 3-nitro-N-[(o-toluoylamino)thiocarbamoyl]benzamide Formula: C16H14N4O4S MolecularWeight: 358.37176

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NNC(=S)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1C(=O)NNC(=S)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H14N4O4S/c1-10-5-2-3-8-13(10)15(22)18-19-16(25)17-14(21)11-6-4-7-12(9-11)20(23)24/h2-9H,1H3,(H,18,22)(H2,17,19,21,25)