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

Systemtic Name: 2-[(4-sulfamoylphenyl)carbamothioylamino]-3-sulfanyl-propanoic acid Openeye Name: 2-[(4-sulfamoylphenyl)carbamothioylamino]-3-sulfanyl-propanoic acid CAS Name: 3-mercapto-2-[[(4-sulfamoylanilino)-sulfanylidenemethyl]amino]propanoic acid IUPAC Name: 2-[(4-sulfamoylphenyl)carbamothioylamino]-3-sulfanylpropanoic acid Traditional Name: 3-mercapto-2-[(4-sulfamoylphenyl)thiocarbamoylamino]propionic acid Formula: C10H13N3O4S3 MolecularWeight: 335.42292

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=S)NC(CS)C(=O)O)S(=O)(=O)N

Isomeric SMILES

C1=CC(=CC=C1NC(=S)NC(CS)C(=O)O)S(=O)(=O)N

InChI

InChI=1S/C10H13N3O4S3/c11-20(16,17)7-3-1-6(2-4-7)12-10(19)13-8(5-18)9(14)15/h1-4,8,18H,5H2,(H,14,15)(H2,11,16,17)(H2,12,13,19)