[3-fluoranyl-4-(trifluoromethyl)phenyl]methyl 4-[(2-tert-butylsulfanylphenyl)methyl]piperazine-1-carboxylate

Systemtic Name: [3-fluoranyl-4-(trifluoromethyl)phenyl]methyl 4-[(2-tert-butylsulfanylphenyl)methyl]piperazine-1-carboxylate Openeye Name: [3-fluoro-4-(trifluoromethyl)phenyl]methyl 4-[(2-tert-butylsulfanylphenyl)methyl]piperazine-1-carboxylate CAS Name: 4-[[2-(tert-butylthio)phenyl]methyl]-1-piperazinecarboxylic acid [3-fluoro-4-(trifluoromethyl)phenyl]methyl ester IUPAC Name: [3-fluoro-4-(trifluoromethyl)phenyl]methyl 4-[(2-tert-butylsulfanylphenyl)methyl]piperazine-1-carboxylate Traditional Name: 4-[2-(tert-butylthio)benzyl]piperazine-1-carboxylic acid [3-fluoro-4-(trifluoromethyl)benzyl] ester Formula: C24H28F4N2O2S MolecularWeight: 484.549933

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SC1=CC=CC=C1CN2CCN(CC2)C(=O)OCC3=CC(=C(C=C3)C(F)(F)F)F

Isomeric SMILES

CC(C)(C)SC1=CC=CC=C1CN2CCN(CC2)C(=O)OCC3=CC(=C(C=C3)C(F)(F)F)F

InChI

InChI=1S/C24H28F4N2O2S/c1-23(2,3)33-21-7-5-4-6-18(21)15-29-10-12-30(13-11-29)22(31)32-16-17-8-9-19(20(25)14-17)24(26,27)28/h4-9,14H,10-13,15-16H2,1-3H3