N-[4-(trifluoromethylsulfanyl)phenyl]-4-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide

Systemtic Name: N-[4-(trifluoromethylsulfanyl)phenyl]-4-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide Openeye Name: N-[4-(trifluoromethylsulfanyl)phenyl]-4-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide CAS Name: N-[4-(trifluoromethylthio)phenyl]-4-(3,4,5-trimethoxyphenyl)-1-piperazinecarboxamide IUPAC Name: N-[4-(trifluoromethylsulfanyl)phenyl]-4-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide Traditional Name: N-[4-(trifluoromethylthio)phenyl]-4-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide Formula: C21H24F3N3O4S MolecularWeight: 471.49317

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)N2CCN(CC2)C(=O)NC3=CC=C(C=C3)SC(F)(F)F

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)N2CCN(CC2)C(=O)NC3=CC=C(C=C3)SC(F)(F)F

InChI

InChI=1S/C21H24F3N3O4S/c1-29-17-12-15(13-18(30-2)19(17)31-3)26-8-10-27(11-9-26)20(28)25-14-4-6-16(7-5-14)32-21(22,23)24/h4-7,12-13H,8-11H2,1-3H3,(H,25,28)