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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N

InChI

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