5-azanyl-5-oxidanylidene-2-[(4-sulfamoylphenyl)carbamothioylamino]pentanoic acid

Systemtic Name: 5-azanyl-5-oxidanylidene-2-[(4-sulfamoylphenyl)carbamothioylamino]pentanoic acid Openeye Name: 5-amino-5-oxo-2-[(4-sulfamoylphenyl)carbamothioylamino]pentanoic acid CAS Name: 5-amino-5-oxo-2-[[(4-sulfamoylanilino)-sulfanylidenemethyl]amino]pentanoic acid IUPAC Name: 5-amino-5-oxo-2-[(4-sulfamoylphenyl)carbamothioylamino]pentanoic acid Traditional Name: 5-amino-5-keto-2-[(4-sulfamoylphenyl)thiocarbamoylamino]valeric acid Formula: C12H16N4O5S2 MolecularWeight: 360.40924

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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