S-[2-[3-pyridin-4-ylpropylcarbamoyl-[2-[4-(trifluoromethyloxy)phenyl]ethyl]amino]ethyl] ethanethioate

Systemtic Name: S-[2-[3-pyridin-4-ylpropylcarbamoyl-[2-[4-(trifluoromethyloxy)phenyl]ethyl]amino]ethyl] ethanethioate Openeye Name: S-[2-[3-(4-pyridyl)propylcarbamoyl-[2-[4-(trifluoromethoxy)phenyl]ethyl]amino]ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-[[oxo-(3-pyridin-4-ylpropylamino)methyl]-[2-[4-(trifluoromethoxy)phenyl]ethyl]amino]ethyl] ester IUPAC Name: S-[2-[3-pyridin-4-ylpropylcarbamoyl-[2-[4-(trifluoromethoxy)phenyl]ethyl]amino]ethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-[3-(4-pyridyl)propylcarbamoyl-[2-[4-(trifluoromethoxy)phenyl]ethyl]amino]ethyl] ester Formula: C22H26F3N3O3S MolecularWeight: 469.52035

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCCN(CCC1=CC=C(C=C1)OC(F)(F)F)C(=O)NCCCC2=CC=NC=C2

Isomeric SMILES

CC(=O)SCCN(CCC1=CC=C(C=C1)OC(F)(F)F)C(=O)NCCCC2=CC=NC=C2

InChI

InChI=1S/C22H26F3N3O3S/c1-17(29)32-16-15-28(21(30)27-11-2-3-18-8-12-26-13-9-18)14-10-19-4-6-20(7-5-19)31-22(23,24)25/h4-9,12-13H,2-3,10-11,14-16H2,1H3,(H,27,30)