4-[4,4-dimethyl-5-oxidanylidene-3-(3-sulfamoylpropyl)-2-sulfanylidene-imidazolidin-1-yl]benzoic acid

Systemtic Name: 4-[4,4-dimethyl-5-oxidanylidene-3-(3-sulfamoylpropyl)-2-sulfanylidene-imidazolidin-1-yl]benzoic acid Openeye Name: 4-[4,4-dimethyl-5-oxo-3-(3-sulfamoylpropyl)-2-thioxo-imidazolidin-1-yl]benzoic acid CAS Name: 4-[4,4-dimethyl-5-oxo-3-(3-sulfamoylpropyl)-2-sulfanylidene-1-imidazolidinyl]benzoic acid IUPAC Name: 4-[4,4-dimethyl-5-oxo-3-(3-sulfamoylpropyl)-2-sulfanylideneimidazolidin-1-yl]benzoic acid Traditional Name: 4-[5-keto-4,4-dimethyl-3-(3-sulfamoylpropyl)-2-thioxo-imidazolidin-1-yl]benzoic acid Formula: C15H19N3O5S2 MolecularWeight: 385.45846

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)N(C(=S)N1CCCS(=O)(=O)N)C2=CC=C(C=C2)C(=O)O)C

Isomeric SMILES

CC1(C(=O)N(C(=S)N1CCCS(=O)(=O)N)C2=CC=C(C=C2)C(=O)O)C

InChI

InChI=1S/C15H19N3O5S2/c1-15(2)13(21)18(11-6-4-10(5-7-11)12(19)20)14(24)17(15)8-3-9-25(16,22)23/h4-7H,3,8-9H2,1-2H3,(H,19,20)(H2,16,22,23)