4-[[[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]carbamothioylamino]methyl]benzoic acid

Systemtic Name: 4-[[[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]carbamothioylamino]methyl]benzoic acid Openeye Name: 4-[[[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]carbamothioylamino]methyl]benzoic acid CAS Name: 4-[[[[4-[(4-ethoxyphenyl)sulfamoyl]anilino]-sulfanylidenemethyl]amino]methyl]benzoic acid IUPAC Name: 4-[[[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]carbamothioylamino]methyl]benzoic acid Traditional Name: 4-[[[4-(p-phenetylsulfamoyl)phenyl]thiocarbamoylamino]methyl]benzoic acid Formula: C23H23N3O5S2 MolecularWeight: 485.57582

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NCC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CCOC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NCC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C23H23N3O5S2/c1-2-31-20-11-7-19(8-12-20)26-33(29,30)21-13-9-18(10-14-21)25-23(32)24-15-16-3-5-17(6-4-16)22(27)28/h3-14,26H,2,15H2,1H3,(H,27,28)(H2,24,25,32)