methyl 4-[(3,5-dinitrophenyl)carbonylcarbamothioylamino]benzoate

Systemtic Name: methyl 4-[(3,5-dinitrophenyl)carbonylcarbamothioylamino]benzoate Openeye Name: methyl 4-[(3,5-dinitrobenzoyl)carbamothioylamino]benzoate CAS Name: 4-[[[[(3,5-dinitrophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[(3,5-dinitrobenzoyl)carbamothioylamino]benzoate Traditional Name: 4-[(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=C(C=C1)NC(=S)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

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

InChI

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