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

Systemtic Name: N-[[(4-methylphenyl)carbonylamino]carbamothioyl]-4-nitro-benzamide Openeye Name: N-[[(4-methylbenzoyl)amino]carbamothioyl]-4-nitro-benzamide CAS Name: N-[[[(4-methylphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-4-nitrobenzamide IUPAC Name: N-[[(4-methylbenzoyl)amino]carbamothioyl]-4-nitrobenzamide Traditional Name: 4-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=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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