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

Systemtic Name: 2-[(4-sulfamoylphenyl)methylcarbamothioylamino]-3-sulfanyl-propanoic acid Openeye Name: 2-[(4-sulfamoylphenyl)methylcarbamothioylamino]-3-sulfanyl-propanoic acid CAS Name: 3-mercapto-2-[[[(4-sulfamoylphenyl)methylamino]-sulfanylidenemethyl]amino]propanoic acid IUPAC Name: 2-[(4-sulfamoylphenyl)methylcarbamothioylamino]-3-sulfanylpropanoic acid Traditional Name: 3-mercapto-2-[(4-sulfamoylbenzyl)thiocarbamoylamino]propionic acid Formula: C11H15N3O4S3 MolecularWeight: 349.4495

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC(=S)NC(CS)C(=O)O)S(=O)(=O)N

Isomeric SMILES

C1=CC(=CC=C1CNC(=S)NC(CS)C(=O)O)S(=O)(=O)N

InChI

InChI=1S/C11H15N3O4S3/c12-21(17,18)8-3-1-7(2-4-8)5-13-11(20)14-9(6-19)10(15)16/h1-4,9,19H,5-6H2,(H,15,16)(H2,12,17,18)(H2,13,14,20)