methyl 3-[(4-sulfamoylphenyl)carbamothioylcarbamoyl]benzoate

Systemtic Name: methyl 3-[(4-sulfamoylphenyl)carbamothioylcarbamoyl]benzoate Openeye Name: methyl 3-[(4-sulfamoylphenyl)carbamothioylcarbamoyl]benzoate CAS Name: 3-[oxo-[[(4-sulfamoylanilino)-sulfanylidenemethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[(4-sulfamoylphenyl)carbamothioylcarbamoyl]benzoate Traditional Name: 3-[(4-sulfamoylphenyl)thiocarbamoylcarbamoyl]benzoic acid methyl ester Formula: C16H15N3O5S2 MolecularWeight: 393.4374

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N

Isomeric SMILES

COC(=O)C1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N

InChI

InChI=1S/C16H15N3O5S2/c1-24-15(21)11-4-2-3-10(9-11)14(20)19-16(25)18-12-5-7-13(8-6-12)26(17,22)23/h2-9H,1H3,(H2,17,22,23)(H2,18,19,20,25)