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

Systemtic Name: 2-[(4-sulfamoylphenyl)methylcarbamothioylamino]butanedioic acid Openeye Name: 2-[(4-sulfamoylphenyl)methylcarbamothioylamino]butanedioic acid CAS Name: 2-[[[(4-sulfamoylphenyl)methylamino]-sulfanylidenemethyl]amino]butanedioic acid IUPAC Name: 2-[(4-sulfamoylphenyl)methylcarbamothioylamino]butanedioic acid Traditional Name: 2-[(4-sulfamoylbenzyl)thiocarbamoylamino]succinic acid Formula: C12H15N3O6S2 MolecularWeight: 361.394

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15N3O6S2/c13-23(20,21)8-3-1-7(2-4-8)6-14-12(22)15-9(11(18)19)5-10(16)17/h1-4,9H,5-6H2,(H,16,17)(H,18,19)(H2,13,20,21)(H2,14,15,22)