N-[(4-methylphenyl)methylcarbamothioyl]-3,5-dinitro-benzamide

Systemtic Name: N-[(4-methylphenyl)methylcarbamothioyl]-3,5-dinitro-benzamide Openeye Name: 3,5-dinitro-N-(p-tolylmethylcarbamothioyl)benzamide CAS Name: N-[[(4-methylphenyl)methylamino]-sulfanylidenemethyl]-3,5-dinitrobenzamide IUPAC Name: N-[(4-methylphenyl)methylcarbamothioyl]-3,5-dinitrobenzamide Traditional Name: N-[(4-methylbenzyl)thiocarbamoyl]-3,5-dinitro-benzamide Formula: C16H14N4O5S MolecularWeight: 374.37116

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14N4O5S/c1-10-2-4-11(5-3-10)9-17-16(26)18-15(21)12-6-13(19(22)23)8-14(7-12)20(24)25/h2-8H,9H2,1H3,(H2,17,18,21,26)