methyl 2-[(3-nitrophenyl)carbonylcarbamothioylamino]benzoate

Systemtic Name: methyl 2-[(3-nitrophenyl)carbonylcarbamothioylamino]benzoate Openeye Name: methyl 2-[(3-nitrobenzoyl)carbamothioylamino]benzoate CAS Name: 2-[[[[(3-nitrophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[(3-nitrobenzoyl)carbamothioylamino]benzoate Traditional Name: 2-[(3-nitrobenzoyl)thiocarbamoylamino]benzoic acid methyl ester Formula: C16H13N3O5S MolecularWeight: 359.35652

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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-]

Isomeric SMILES

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

InChI

InChI=1S/C16H13N3O5S/c1-24-15(21)12-7-2-3-8-13(12)17-16(25)18-14(20)10-5-4-6-11(9-10)19(22)23/h2-9H,1H3,(H2,17,18,20,25)