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

Systemtic Name: N-[(2,5-dimethoxyphenyl)carbamothioyl]-3,5-dinitro-benzamide Openeye Name: N-[(2,5-dimethoxyphenyl)carbamothioyl]-3,5-dinitro-benzamide CAS Name: N-[(2,5-dimethoxyanilino)-sulfanylidenemethyl]-3,5-dinitrobenzamide IUPAC Name: N-[(2,5-dimethoxyphenyl)carbamothioyl]-3,5-dinitrobenzamide Traditional Name: N-[(2,5-dimethoxyphenyl)thiocarbamoyl]-3,5-dinitro-benzamide Formula: C16H14N4O7S MolecularWeight: 406.36996

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)NC(=S)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)OC)NC(=S)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H14N4O7S/c1-26-12-3-4-14(27-2)13(8-12)17-16(28)18-15(21)9-5-10(19(22)23)7-11(6-9)20(24)25/h3-8H,1-2H3,(H2,17,18,21,28)