ethyl 4-[(2-oxidanyl-5-sulfamoyl-phenyl)carbamothioylamino]benzoate

Systemtic Name: ethyl 4-[(2-oxidanyl-5-sulfamoyl-phenyl)carbamothioylamino]benzoate Openeye Name: ethyl 4-[(2-hydroxy-5-sulfamoyl-phenyl)carbamothioylamino]benzoate CAS Name: 4-[[(2-hydroxy-5-sulfamoylanilino)-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(2-hydroxy-5-sulfamoylphenyl)carbamothioylamino]benzoate Traditional Name: 4-[(2-hydroxy-5-sulfamoyl-phenyl)thiocarbamoylamino]benzoic acid ethyl ester Formula: C16H17N3O5S2 MolecularWeight: 395.45328

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N3O5S2/c1-2-24-15(21)10-3-5-11(6-4-10)18-16(25)19-13-9-12(26(17,22)23)7-8-14(13)20/h3-9,20H,2H2,1H3,(H2,17,22,23)(H2,18,19,25)