4-methyl-3-[(4-sulfamoylphenyl)carbamothioylamino]benzoic acid

Systemtic Name: 4-methyl-3-[(4-sulfamoylphenyl)carbamothioylamino]benzoic acid Openeye Name: 4-methyl-3-[(4-sulfamoylphenyl)carbamothioylamino]benzoic acid CAS Name: 4-methyl-3-[[(4-sulfamoylanilino)-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 4-methyl-3-[(4-sulfamoylphenyl)carbamothioylamino]benzoic acid Traditional Name: 4-methyl-3-[(4-sulfamoylphenyl)thiocarbamoylamino]benzoic acid Formula: C15H15N3O4S2 MolecularWeight: 365.4273

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15N3O4S2/c1-9-2-3-10(14(19)20)8-13(9)18-15(23)17-11-4-6-12(7-5-11)24(16,21)22/h2-8H,1H3,(H,19,20)(H2,16,21,22)(H2,17,18,23)