2-[2-[(4-sulfamoylphenyl)methylcarbamothioylamino]ethanoylamino]ethanoic acid

Systemtic Name: 2-[2-[(4-sulfamoylphenyl)methylcarbamothioylamino]ethanoylamino]ethanoic acid Openeye Name: 2-[[2-[(4-sulfamoylphenyl)methylcarbamothioylamino]acetyl]amino]acetic acid CAS Name: 2-[[1-oxo-2-[[[(4-sulfamoylphenyl)methylamino]-sulfanylidenemethyl]amino]ethyl]amino]acetic acid IUPAC Name: 2-[[2-[(4-sulfamoylphenyl)methylcarbamothioylamino]acetyl]amino]acetic acid Traditional Name: 2-[[2-[(4-sulfamoylbenzyl)thiocarbamoylamino]acetyl]amino]acetic acid Formula: C12H16N4O5S2 MolecularWeight: 360.40924

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC(=S)NCC(=O)NCC(=O)O)S(=O)(=O)N

Isomeric SMILES

C1=CC(=CC=C1CNC(=S)NCC(=O)NCC(=O)O)S(=O)(=O)N

InChI

InChI=1S/C12H16N4O5S2/c13-23(20,21)9-3-1-8(2-4-9)5-15-12(22)16-6-10(17)14-7-11(18)19/h1-4H,5-7H2,(H,14,17)(H,18,19)(H2,13,20,21)(H2,15,16,22)