4-[[[4-(2-methylpropylsulfamoyl)phenyl]carbamothioylamino]methyl]benzoic acid

Systemtic Name: 4-[[[4-(2-methylpropylsulfamoyl)phenyl]carbamothioylamino]methyl]benzoic acid Openeye Name: 4-[[[4-(isobutylsulfamoyl)phenyl]carbamothioylamino]methyl]benzoic acid CAS Name: 4-[[[[4-(2-methylpropylsulfamoyl)anilino]-sulfanylidenemethyl]amino]methyl]benzoic acid IUPAC Name: 4-[[[4-(2-methylpropylsulfamoyl)phenyl]carbamothioylamino]methyl]benzoic acid Traditional Name: 4-[[[4-(isobutylsulfamoyl)phenyl]thiocarbamoylamino]methyl]benzoic acid Formula: C19H23N3O4S2 MolecularWeight: 421.53362

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNS(=O)(=O)C1=CC=C(C=C1)NC(=S)NCC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CC(C)CNS(=O)(=O)C1=CC=C(C=C1)NC(=S)NCC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C19H23N3O4S2/c1-13(2)11-21-28(25,26)17-9-7-16(8-10-17)22-19(27)20-12-14-3-5-15(6-4-14)18(23)24/h3-10,13,21H,11-12H2,1-2H3,(H,23,24)(H2,20,22,27)