4-[(4-sulfamoylphenyl)methylcarbamothioylamino]butanoic acid

Systemtic Name: 4-[(4-sulfamoylphenyl)methylcarbamothioylamino]butanoic acid Openeye Name: 4-[(4-sulfamoylphenyl)methylcarbamothioylamino]butanoic acid CAS Name: 4-[[[(4-sulfamoylphenyl)methylamino]-sulfanylidenemethyl]amino]butanoic acid IUPAC Name: 4-[(4-sulfamoylphenyl)methylcarbamothioylamino]butanoic acid Traditional Name: 4-[(4-sulfamoylbenzyl)thiocarbamoylamino]butyric acid Formula: C12H17N3O4S2 MolecularWeight: 331.41108

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC(=S)NCCCC(=O)O)S(=O)(=O)N

Isomeric SMILES

C1=CC(=CC=C1CNC(=S)NCCCC(=O)O)S(=O)(=O)N

InChI

InChI=1S/C12H17N3O4S2/c13-21(18,19)10-5-3-9(4-6-10)8-15-12(20)14-7-1-2-11(16)17/h3-6H,1-2,7-8H2,(H,16,17)(H2,13,18,19)(H2,14,15,20)