8-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxidanylidene-2-sulfanylidene-imidazolidin-1-yl]octanoic acid

Systemtic Name: 8-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxidanylidene-2-sulfanylidene-imidazolidin-1-yl]octanoic acid Openeye Name: 8-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-thioxo-imidazolidin-1-yl]octanoic acid CAS Name: 8-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-sulfanylidene-1-imidazolidinyl]octanoic acid IUPAC Name: 8-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]octanoic acid Traditional Name: 8-[3-[4-cyano-3-(trifluoromethyl)phenyl]-4-keto-5,5-dimethyl-2-thioxo-imidazolidin-1-yl]caprylic acid Formula: C21H24F3N3O3S MolecularWeight: 455.49377

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)N(C(=S)N1CCCCCCCC(=O)O)C2=CC(=C(C=C2)C#N)C(F)(F)F)C

Isomeric SMILES

CC1(C(=O)N(C(=S)N1CCCCCCCC(=O)O)C2=CC(=C(C=C2)C#N)C(F)(F)F)C

InChI

InChI=1S/C21H24F3N3O3S/c1-20(2)18(30)27(15-10-9-14(13-25)16(12-15)21(22,23)24)19(31)26(20)11-7-5-3-4-6-8-17(28)29/h9-10,12H,3-8,11H2,1-2H3,(H,28,29)