N-[[(3-methylphenyl)carbonylamino]carbamothioyl]-3,5-dinitro-benzamide

Systemtic Name: N-[[(3-methylphenyl)carbonylamino]carbamothioyl]-3,5-dinitro-benzamide Openeye Name: N-[[(3-methylbenzoyl)amino]carbamothioyl]-3,5-dinitro-benzamide CAS Name: N-[[[(3-methylphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-3,5-dinitrobenzamide IUPAC Name: N-[[(3-methylbenzoyl)amino]carbamothioyl]-3,5-dinitrobenzamide Traditional Name: N-[(m-toluoylamino)thiocarbamoyl]-3,5-dinitro-benzamide Formula: C16H13N5O6S MolecularWeight: 403.36932

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13N5O6S/c1-9-3-2-4-10(5-9)15(23)18-19-16(28)17-14(22)11-6-12(20(24)25)8-13(7-11)21(26)27/h2-8H,1H3,(H,18,23)(H2,17,19,22,28)