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

Systemtic Name: 4-[4,4-dimethyl-5-oxidanylidene-3-(3-sulfamoylpropyl)-2-sulfanylidene-imidazolidin-1-yl]-2-(trifluoromethyl)benzoic acid Openeye Name: 4-[4,4-dimethyl-5-oxo-3-(3-sulfamoylpropyl)-2-thioxo-imidazolidin-1-yl]-2-(trifluoromethyl)benzoic acid CAS Name: 4-[4,4-dimethyl-5-oxo-3-(3-sulfamoylpropyl)-2-sulfanylidene-1-imidazolidinyl]-2-(trifluoromethyl)benzoic acid IUPAC Name: 4-[4,4-dimethyl-5-oxo-3-(3-sulfamoylpropyl)-2-sulfanylideneimidazolidin-1-yl]-2-(trifluoromethyl)benzoic acid Traditional Name: 4-[5-keto-4,4-dimethyl-3-(3-sulfamoylpropyl)-2-thioxo-imidazolidin-1-yl]-2-(trifluoromethyl)benzoic acid Formula: C16H18F3N3O5S2 MolecularWeight: 453.45643

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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(F)(F)F)C

Isomeric SMILES

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

InChI

InChI=1S/C16H18F3N3O5S2/c1-15(2)13(25)22(14(28)21(15)6-3-7-29(20,26)27)9-4-5-10(12(23)24)11(8-9)16(17,18)19/h4-5,8H,3,6-7H2,1-2H3,(H,23,24)(H2,20,26,27)