methyl 4-[(2-nitrophenyl)carbamothioylcarbamoyl]benzoate

Systemtic Name: methyl 4-[(2-nitrophenyl)carbamothioylcarbamoyl]benzoate Openeye Name: methyl 4-[(2-nitrophenyl)carbamothioylcarbamoyl]benzoate CAS Name: 4-[[[(2-nitroanilino)-sulfanylidenemethyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(2-nitrophenyl)carbamothioylcarbamoyl]benzoate Traditional Name: 4-[(2-nitrophenyl)thiocarbamoylcarbamoyl]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)C(=O)NC(=S)NC2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2[N+](=O)[O-]

InChI

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