3-[(4-sulfamoylphenyl)methylcarbamothioylamino]propanoic acid

Systemtic Name: 3-[(4-sulfamoylphenyl)methylcarbamothioylamino]propanoic acid Openeye Name: 3-[(4-sulfamoylphenyl)methylcarbamothioylamino]propanoic acid CAS Name: 3-[[[(4-sulfamoylphenyl)methylamino]-sulfanylidenemethyl]amino]propanoic acid IUPAC Name: 3-[(4-sulfamoylphenyl)methylcarbamothioylamino]propanoic acid Traditional Name: 3-[(4-sulfamoylbenzyl)thiocarbamoylamino]propionic acid Formula: C11H15N3O4S2 MolecularWeight: 317.3845

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H15N3O4S2/c12-20(17,18)9-3-1-8(2-4-9)7-14-11(19)13-6-5-10(15)16/h1-4H,5-7H2,(H,15,16)(H2,12,17,18)(H2,13,14,19)