ethyl 4-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxidanylidene-2-sulfanylidene-imidazolidin-1-yl]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxidanylidene-2-sulfanylidene-imidazolidin-1-yl]piperidine-1-carboxylate Openeye Name: ethyl 4-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-thioxo-imidazolidin-1-yl]piperidine-1-carboxylate CAS Name: 4-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-sulfanylidene-1-imidazolidinyl]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]piperidine-1-carboxylate Traditional Name: 4-[3-[4-cyano-3-(trifluoromethyl)phenyl]-4-keto-5,5-dimethyl-2-thioxo-imidazolidin-1-yl]piperidine-1-carboxylic acid ethyl ester Formula: C21H23F3N4O3S MolecularWeight: 468.49253

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)N2C(=S)N(C(=O)C2(C)C)C3=CC(=C(C=C3)C#N)C(F)(F)F

Isomeric SMILES

CCOC(=O)N1CCC(CC1)N2C(=S)N(C(=O)C2(C)C)C3=CC(=C(C=C3)C#N)C(F)(F)F

InChI

InChI=1S/C21H23F3N4O3S/c1-4-31-19(30)26-9-7-14(8-10-26)28-18(32)27(17(29)20(28,2)3)15-6-5-13(12-25)16(11-15)21(22,23)24/h5-6,11,14H,4,7-10H2,1-3H3