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

Systemtic Name: 4-methylsulfanyl-2-[(4-sulfamoylphenyl)methylcarbamothioylamino]butanoic acid Openeye Name: 4-methylsulfanyl-2-[(4-sulfamoylphenyl)methylcarbamothioylamino]butanoic acid CAS Name: 4-(methylthio)-2-[[[(4-sulfamoylphenyl)methylamino]-sulfanylidenemethyl]amino]butanoic acid IUPAC Name: 4-methylsulfanyl-2-[(4-sulfamoylphenyl)methylcarbamothioylamino]butanoic acid Traditional Name: 4-(methylthio)-2-[(4-sulfamoylbenzyl)thiocarbamoylamino]butyric acid Formula: C13H19N3O4S3 MolecularWeight: 377.50266

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=S)NCC1=CC=C(C=C1)S(=O)(=O)N

Isomeric SMILES

CSCCC(C(=O)O)NC(=S)NCC1=CC=C(C=C1)S(=O)(=O)N

InChI

InChI=1S/C13H19N3O4S3/c1-22-7-6-11(12(17)18)16-13(21)15-8-9-2-4-10(5-3-9)23(14,19)20/h2-5,11H,6-8H2,1H3,(H,17,18)(H2,14,19,20)(H2,15,16,21)