2-[4-[[4-(1-phenylethylsulfamoyl)phenyl]carbamothioylamino]phenyl]ethanoic acid

Systemtic Name: 2-[4-[[4-(1-phenylethylsulfamoyl)phenyl]carbamothioylamino]phenyl]ethanoic acid Openeye Name: 2-[4-[[4-(1-phenylethylsulfamoyl)phenyl]carbamothioylamino]phenyl]acetic acid CAS Name: 2-[4-[[[4-(1-phenylethylsulfamoyl)anilino]-sulfanylidenemethyl]amino]phenyl]acetic acid IUPAC Name: 2-[4-[[4-(1-phenylethylsulfamoyl)phenyl]carbamothioylamino]phenyl]acetic acid Traditional Name: 2-[4-[[4-(1-phenylethylsulfamoyl)phenyl]thiocarbamoylamino]phenyl]acetic acid Formula: C23H23N3O4S2 MolecularWeight: 469.57642

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC3=CC=C(C=C3)CC(=O)O

Isomeric SMILES

CC(C1=CC=CC=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC3=CC=C(C=C3)CC(=O)O

InChI

InChI=1S/C23H23N3O4S2/c1-16(18-5-3-2-4-6-18)26-32(29,30)21-13-11-20(12-14-21)25-23(31)24-19-9-7-17(8-10-19)15-22(27)28/h2-14,16,26H,15H2,1H3,(H,27,28)(H2,24,25,31)