4-methylsulfanyl-2-[(4-sulfamoylphenyl)carbamothioylamino]butanoic acid

Systemtic Name: 4-methylsulfanyl-2-[(4-sulfamoylphenyl)carbamothioylamino]butanoic acid Openeye Name: 4-methylsulfanyl-2-[(4-sulfamoylphenyl)carbamothioylamino]butanoic acid CAS Name: 4-(methylthio)-2-[[(4-sulfamoylanilino)-sulfanylidenemethyl]amino]butanoic acid IUPAC Name: 4-methylsulfanyl-2-[(4-sulfamoylphenyl)carbamothioylamino]butanoic acid Traditional Name: 4-(methylthio)-2-[(4-sulfamoylphenyl)thiocarbamoylamino]butyric acid Formula: C12H17N3O4S3 MolecularWeight: 363.47608

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=S)NC1=CC=C(C=C1)S(=O)(=O)N

Isomeric SMILES

CSCCC(C(=O)O)NC(=S)NC1=CC=C(C=C1)S(=O)(=O)N

InChI

InChI=1S/C12H17N3O4S3/c1-21-7-6-10(11(16)17)15-12(20)14-8-2-4-9(5-3-8)22(13,18)19/h2-5,10H,6-7H2,1H3,(H,16,17)(H2,13,18,19)(H2,14,15,20)