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

Systemtic Name: 2-[4-[[4-(phenylsulfamoyl)phenyl]carbamothioylamino]phenyl]ethanoic acid Openeye Name: 2-[4-[[4-(phenylsulfamoyl)phenyl]carbamothioylamino]phenyl]acetic acid CAS Name: 2-[4-[[[4-(phenylsulfamoyl)anilino]-sulfanylidenemethyl]amino]phenyl]acetic acid IUPAC Name: 2-[4-[[4-(phenylsulfamoyl)phenyl]carbamothioylamino]phenyl]acetic acid Traditional Name: 2-[4-[[4-(phenylsulfamoyl)phenyl]thiocarbamoylamino]phenyl]acetic acid Formula: C21H19N3O4S2 MolecularWeight: 441.52326

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19N3O4S2/c25-20(26)14-15-6-8-16(9-7-15)22-21(29)23-17-10-12-19(13-11-17)30(27,28)24-18-4-2-1-3-5-18/h1-13,24H,14H2,(H,25,26)(H2,22,23,29)