N-[[(4-methylphenyl)carbonylamino]carbamothioyl]-2-nitro-benzamide

Systemtic Name: N-[[(4-methylphenyl)carbonylamino]carbamothioyl]-2-nitro-benzamide Openeye Name: N-[[(4-methylbenzoyl)amino]carbamothioyl]-2-nitro-benzamide CAS Name: N-[[[(4-methylphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-2-nitrobenzamide IUPAC Name: N-[[(4-methylbenzoyl)amino]carbamothioyl]-2-nitrobenzamide Traditional Name: 2-nitro-N-[(p-toluoylamino)thiocarbamoyl]benzamide Formula: C16H14N4O4S MolecularWeight: 358.37176

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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