2-[4-[[4-(2-methylpropylsulfamoyl)phenyl]carbamothioylamino]phenyl]ethanoic acid

Systemtic Name: 2-[4-[[4-(2-methylpropylsulfamoyl)phenyl]carbamothioylamino]phenyl]ethanoic acid Openeye Name: 2-[4-[[4-(isobutylsulfamoyl)phenyl]carbamothioylamino]phenyl]acetic acid CAS Name: 2-[4-[[[4-(2-methylpropylsulfamoyl)anilino]-sulfanylidenemethyl]amino]phenyl]acetic acid IUPAC Name: 2-[4-[[4-(2-methylpropylsulfamoyl)phenyl]carbamothioylamino]phenyl]acetic acid Traditional Name: 2-[4-[[4-(isobutylsulfamoyl)phenyl]thiocarbamoylamino]phenyl]acetic 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)NC2=CC=C(C=C2)CC(=O)O

Isomeric SMILES

CC(C)CNS(=O)(=O)C1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)CC(=O)O

InChI

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