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

Systemtic Name: [3-(trifluoromethylsulfanyl)phenyl]methyl 4-[(2-tert-butylsulfanylphenyl)methyl]piperazine-1-carboxylate Openeye Name: [3-(trifluoromethylsulfanyl)phenyl]methyl 4-[(2-tert-butylsulfanylphenyl)methyl]piperazine-1-carboxylate CAS Name: 4-[[2-(tert-butylthio)phenyl]methyl]-1-piperazinecarboxylic acid [3-(trifluoromethylthio)phenyl]methyl ester IUPAC Name: [3-(trifluoromethylsulfanyl)phenyl]methyl 4-[(2-tert-butylsulfanylphenyl)methyl]piperazine-1-carboxylate Traditional Name: 4-[2-(tert-butylthio)benzyl]piperazine-1-carboxylic acid [3-(trifluoromethylthio)benzyl] ester Formula: C24H29F3N2O2S2 MolecularWeight: 498.62447

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H29F3N2O2S2/c1-23(2,3)33-21-10-5-4-8-19(21)16-28-11-13-29(14-12-28)22(30)31-17-18-7-6-9-20(15-18)32-24(25,26)27/h4-10,15H,11-14,16-17H2,1-3H3