(2S)-1-[7-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxidanylidene-2-sulfanylidene-imidazolidin-1-yl]heptyl]pyrrolidine-2-carboxylic acid hydrochloride

Systemtic Name: (2S)-1-[7-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxidanylidene-2-sulfanylidene-imidazolidin-1-yl]heptyl]pyrrolidine-2-carboxylic acid hydrochloride Openeye Name: (2S)-1-[7-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-thioxo-imidazolidin-1-yl]heptyl]pyrrolidine-2-carboxylic acid hydrochloride CAS Name: (2S)-1-[7-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-sulfanylidene-1-imidazolidinyl]heptyl]-2-pyrrolidinecarboxylic acid hydrochloride IUPAC Name: (2S)-1-[7-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]heptyl]pyrrolidine-2-carboxylic acid hydrochloride Traditional Name: (2S)-1-[7-[3-[4-cyano-3-(trifluoromethyl)phenyl]-4-keto-5,5-dimethyl-2-thioxo-imidazolidin-1-yl]heptyl]proline hydrochloride Formula: C25H32ClF3N4O3S MolecularWeight: 561.05979

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)N(C(=S)N1CCCCCCCN2CCCC2C(=O)O)C3=CC(=C(C=C3)C#N)C(F)(F)F)C.Cl

Isomeric SMILES

CC1(C(=O)N(C(=S)N1CCCCCCCN2CCC[C@H]2C(=O)O)C3=CC(=C(C=C3)C#N)C(F)(F)F)C.Cl

InChI

InChI=1S/C25H31F3N4O3S.ClH/c1-24(2)22(35)32(18-11-10-17(16-29)19(15-18)25(26,27)28)23(36)31(24)14-7-5-3-4-6-12-30-13-8-9-20(30)21(33)34;/h10-11,15,20H,3-9,12-14H2,1-2H3,(H,33,34);1H/t20-;/m0./s1