tert-butyl 3-azanyl-3-[4-azanylidene-3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-2-sulfanylidene-imidazolidin-1-yl]propanoate

Systemtic Name: tert-butyl 3-azanyl-3-[4-azanylidene-3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-2-sulfanylidene-imidazolidin-1-yl]propanoate Openeye Name: tert-butyl 3-amino-3-[3-[4-cyano-3-(trifluoromethyl)phenyl]-4-imino-5,5-dimethyl-2-thioxo-imidazolidin-1-yl]propanoate CAS Name: 3-amino-3-[3-[4-cyano-3-(trifluoromethyl)phenyl]-4-imino-5,5-dimethyl-2-sulfanylidene-1-imidazolidinyl]propanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-amino-3-[3-[4-cyano-3-(trifluoromethyl)phenyl]-4-imino-5,5-dimethyl-2-sulfanylideneimidazolidin-1-yl]propanoate Traditional Name: 3-amino-3-[3-[4-cyano-3-(trifluoromethyl)phenyl]-4-imino-5,5-dimethyl-2-thioxo-imidazolidin-1-yl]propionic acid tert-butyl ester Formula: C20H24F3N5O2S MolecularWeight: 455.49707

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=N)N(C(=S)N1C(CC(=O)OC(C)(C)C)N)C2=CC(=C(C=C2)C#N)C(F)(F)F)C

Isomeric SMILES

CC1(C(=N)N(C(=S)N1C(CC(=O)OC(C)(C)C)N)C2=CC(=C(C=C2)C#N)C(F)(F)F)C

InChI

InChI=1S/C20H24F3N5O2S/c1-18(2,3)30-15(29)9-14(25)28-17(31)27(16(26)19(28,4)5)12-7-6-11(10-24)13(8-12)20(21,22)23/h6-8,14,26H,9,25H2,1-5H3