methyl 2-[(3,5-dinitrophenyl)carbonylcarbamothioylamino]benzoate

Systemtic Name: methyl 2-[(3,5-dinitrophenyl)carbonylcarbamothioylamino]benzoate Openeye Name: methyl 2-[(3,5-dinitrobenzoyl)carbamothioylamino]benzoate CAS Name: 2-[[[[(3,5-dinitrophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[(3,5-dinitrobenzoyl)carbamothioylamino]benzoate Traditional Name: 2-[(3,5-dinitrobenzoyl)thiocarbamoylamino]benzoic acid methyl ester Formula: C16H12N4O7S MolecularWeight: 404.35408

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=S)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=S)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H12N4O7S/c1-27-15(22)12-4-2-3-5-13(12)17-16(28)18-14(21)9-6-10(19(23)24)8-11(7-9)20(25)26/h2-8H,1H3,(H2,17,18,21,28)