tert-butyl 4-[2-(4-methoxyphenyl)sulfanyl-5-(trifluoromethyl)phenyl]-3,5-bis(oxidanylidene)piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-(4-methoxyphenyl)sulfanyl-5-(trifluoromethyl)phenyl]-3,5-bis(oxidanylidene)piperazine-1-carboxylate Openeye Name: tert-butyl 4-[2-(4-methoxyphenyl)sulfanyl-5-(trifluoromethyl)phenyl]-3,5-dioxo-piperazine-1-carboxylate CAS Name: 4-[2-[(4-methoxyphenyl)thio]-5-(trifluoromethyl)phenyl]-3,5-dioxo-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-(4-methoxyphenyl)sulfanyl-5-(trifluoromethyl)phenyl]-3,5-dioxopiperazine-1-carboxylate Traditional Name: 3,5-diketo-4-[2-[(4-methoxyphenyl)thio]-5-(trifluoromethyl)phenyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C23H23F3N2O5S MolecularWeight: 496.49933

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC(=O)N(C(=O)C1)C2=C(C=CC(=C2)C(F)(F)F)SC3=CC=C(C=C3)OC

Isomeric SMILES

CC(C)(C)OC(=O)N1CC(=O)N(C(=O)C1)C2=C(C=CC(=C2)C(F)(F)F)SC3=CC=C(C=C3)OC

InChI

InChI=1S/C23H23F3N2O5S/c1-22(2,3)33-21(31)27-12-19(29)28(20(30)13-27)17-11-14(23(24,25)26)5-10-18(17)34-16-8-6-15(32-4)7-9-16/h5-11H,12-13H2,1-4H3