methyl 6-[4-azanylidene-3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-2-sulfanylidene-imidazolidin-1-yl]hexanoate

Systemtic Name: methyl 6-[4-azanylidene-3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-2-sulfanylidene-imidazolidin-1-yl]hexanoate Openeye Name: methyl 6-[3-[4-cyano-3-(trifluoromethyl)phenyl]-4-imino-5,5-dimethyl-2-thioxo-imidazolidin-1-yl]hexanoate CAS Name: 6-[3-[4-cyano-3-(trifluoromethyl)phenyl]-4-imino-5,5-dimethyl-2-sulfanylidene-1-imidazolidinyl]hexanoic acid methyl ester IUPAC Name: methyl 6-[3-[4-cyano-3-(trifluoromethyl)phenyl]-4-imino-5,5-dimethyl-2-sulfanylideneimidazolidin-1-yl]hexanoate Traditional Name: 6-[3-[4-cyano-3-(trifluoromethyl)phenyl]-4-imino-5,5-dimethyl-2-thioxo-imidazolidin-1-yl]hexanoic acid methyl ester Formula: C20H23F3N4O2S MolecularWeight: 440.48243

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=N)N(C(=S)N1CCCCCC(=O)OC)C2=CC(=C(C=C2)C#N)C(F)(F)F)C

Isomeric SMILES

CC1(C(=N)N(C(=S)N1CCCCCC(=O)OC)C2=CC(=C(C=C2)C#N)C(F)(F)F)C

InChI

InChI=1S/C20H23F3N4O2S/c1-19(2)17(25)27(14-9-8-13(12-24)15(11-14)20(21,22)23)18(30)26(19)10-6-4-5-7-16(28)29-3/h8-9,11,25H,4-7,10H2,1-3H3