2-[(4-sulfamoylphenyl)methylcarbamothioylamino]pentanedioic acid

Systemtic Name: 2-[(4-sulfamoylphenyl)methylcarbamothioylamino]pentanedioic acid Openeye Name: 2-[(4-sulfamoylphenyl)methylcarbamothioylamino]pentanedioic acid CAS Name: 2-[[[(4-sulfamoylphenyl)methylamino]-sulfanylidenemethyl]amino]pentanedioic acid IUPAC Name: 2-[(4-sulfamoylphenyl)methylcarbamothioylamino]pentanedioic acid Traditional Name: 2-[(4-sulfamoylbenzyl)thiocarbamoylamino]glutaric acid Formula: C13H17N3O6S2 MolecularWeight: 375.42058

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17N3O6S2/c14-24(21,22)9-3-1-8(2-4-9)7-15-13(23)16-10(12(19)20)5-6-11(17)18/h1-4,10H,5-7H2,(H,17,18)(H,19,20)(H2,14,21,22)(H2,15,16,23)