N-[methyl-(phenylmethyl)carbamothioyl]-3,5-dinitro-benzamide

Systemtic Name: N-[methyl-(phenylmethyl)carbamothioyl]-3,5-dinitro-benzamide Openeye Name: N-[benzyl(methyl)carbamothioyl]-3,5-dinitro-benzamide CAS Name: N-[[methyl-(phenylmethyl)amino]-sulfanylidenemethyl]-3,5-dinitrobenzamide IUPAC Name: N-[benzyl(methyl)carbamothioyl]-3,5-dinitrobenzamide Traditional Name: N-[benzyl(methyl)thiocarbamoyl]-3,5-dinitro-benzamide Formula: C16H14N4O5S MolecularWeight: 374.37116

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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