3-(4-hydroxyphenyl)-2-[(4-sulfamoylphenyl)carbamothioylamino]propanoic acid

Systemtic Name: 3-(4-hydroxyphenyl)-2-[(4-sulfamoylphenyl)carbamothioylamino]propanoic acid Openeye Name: 3-(4-hydroxyphenyl)-2-[(4-sulfamoylphenyl)carbamothioylamino]propanoic acid CAS Name: 3-(4-hydroxyphenyl)-2-[[(4-sulfamoylanilino)-sulfanylidenemethyl]amino]propanoic acid IUPAC Name: 3-(4-hydroxyphenyl)-2-[(4-sulfamoylphenyl)carbamothioylamino]propanoic acid Traditional Name: 3-(4-hydroxyphenyl)-2-[(4-sulfamoylphenyl)thiocarbamoylamino]propionic acid Formula: C16H17N3O5S2 MolecularWeight: 395.45328

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(C(=O)O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N)O

Isomeric SMILES

C1=CC(=CC=C1CC(C(=O)O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N)O

InChI

InChI=1S/C16H17N3O5S2/c17-26(23,24)13-7-3-11(4-8-13)18-16(25)19-14(15(21)22)9-10-1-5-12(20)6-2-10/h1-8,14,20H,9H2,(H,21,22)(H2,17,23,24)(H2,18,19,25)