ethyl 3-[(4-sulfamoylphenyl)carbamothioylamino]benzoate

Systemtic Name: ethyl 3-[(4-sulfamoylphenyl)carbamothioylamino]benzoate Openeye Name: ethyl 3-[(4-sulfamoylphenyl)carbamothioylamino]benzoate CAS Name: 3-[[(4-sulfamoylanilino)-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[(4-sulfamoylphenyl)carbamothioylamino]benzoate Traditional Name: 3-[(4-sulfamoylphenyl)thiocarbamoylamino]benzoic acid ethyl ester Formula: C16H17N3O4S2 MolecularWeight: 379.45388

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N3O4S2/c1-2-23-15(20)11-4-3-5-13(10-11)19-16(24)18-12-6-8-14(9-7-12)25(17,21)22/h3-10H,2H2,1H3,(H2,17,21,22)(H2,18,19,24)