2-(2-methylphenyl)-N-[[(4-nitrophenyl)carbonylamino]carbamothioyl]ethanamide

Systemtic Name: 2-(2-methylphenyl)-N-[[(4-nitrophenyl)carbonylamino]carbamothioyl]ethanamide Openeye Name: N-[[(4-nitrobenzoyl)amino]carbamothioyl]-2-(o-tolyl)acetamide CAS Name: 2-(2-methylphenyl)-N-[[[(4-nitrophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(2-methylphenyl)-N-[[(4-nitrobenzoyl)amino]carbamothioyl]acetamide Traditional Name: N-[[(4-nitrobenzoyl)amino]thiocarbamoyl]-2-(o-tolyl)acetamide Formula: C17H16N4O4S MolecularWeight: 372.39834

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CC(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1CC(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H16N4O4S/c1-11-4-2-3-5-13(11)10-15(22)18-17(26)20-19-16(23)12-6-8-14(9-7-12)21(24)25/h2-9H,10H2,1H3,(H,19,23)(H2,18,20,22,26)