N-[(2,6-dimethylphenyl)carbamothioyl]-3,5-dinitro-benzamide

Systemtic Name: N-[(2,6-dimethylphenyl)carbamothioyl]-3,5-dinitro-benzamide Openeye Name: N-[(2,6-dimethylphenyl)carbamothioyl]-3,5-dinitro-benzamide CAS Name: N-[(2,6-dimethylanilino)-sulfanylidenemethyl]-3,5-dinitrobenzamide IUPAC Name: N-[(2,6-dimethylphenyl)carbamothioyl]-3,5-dinitrobenzamide Traditional Name: N-[(2,6-dimethylphenyl)thiocarbamoyl]-3,5-dinitro-benzamide Formula: C16H14N4O5S MolecularWeight: 374.37116

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14N4O5S/c1-9-4-3-5-10(2)14(9)17-16(26)18-15(21)11-6-12(19(22)23)8-13(7-11)20(24)25/h3-8H,1-2H3,(H2,17,18,21,26)