methyl 4-[(3-nitrophenyl)carbonylcarbamothioylamino]benzoate

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

Isomeric SMILES

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

InChI

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