3-oxidanyl-2-[(4-sulfamoylphenyl)methylcarbamothioylamino]butanoic acid

Systemtic Name: 3-oxidanyl-2-[(4-sulfamoylphenyl)methylcarbamothioylamino]butanoic acid Openeye Name: 3-hydroxy-2-[(4-sulfamoylphenyl)methylcarbamothioylamino]butanoic acid CAS Name: 3-hydroxy-2-[[[(4-sulfamoylphenyl)methylamino]-sulfanylidenemethyl]amino]butanoic acid IUPAC Name: 3-hydroxy-2-[(4-sulfamoylphenyl)methylcarbamothioylamino]butanoic acid Traditional Name: 3-hydroxy-2-[(4-sulfamoylbenzyl)thiocarbamoylamino]butyric acid Formula: C12H17N3O5S2 MolecularWeight: 347.41048

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)O)NC(=S)NCC1=CC=C(C=C1)S(=O)(=O)N)O

Isomeric SMILES

CC(C(C(=O)O)NC(=S)NCC1=CC=C(C=C1)S(=O)(=O)N)O

InChI

InChI=1S/C12H17N3O5S2/c1-7(16)10(11(17)18)15-12(21)14-6-8-2-4-9(5-3-8)22(13,19)20/h2-5,7,10,16H,6H2,1H3,(H,17,18)(H2,13,19,20)(H2,14,15,21)