2-[4-[2-(2-phenoxyethylsulfanyl)ethanoyl]-1,4-diazepan-1-yl]-N-[2-(trifluoromethyl)phenyl]ethanamide

Systemtic Name: 2-[4-[2-(2-phenoxyethylsulfanyl)ethanoyl]-1,4-diazepan-1-yl]-N-[2-(trifluoromethyl)phenyl]ethanamide Openeye Name: 2-[4-[2-(2-phenoxyethylsulfanyl)acetyl]-1,4-diazepan-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide CAS Name: 2-[4-[1-oxo-2-(2-phenoxyethylthio)ethyl]-1,4-diazepan-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide IUPAC Name: 2-[4-[2-(2-phenoxyethylsulfanyl)acetyl]-1,4-diazepan-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide Traditional Name: 2-[4-[2-(2-phenoxyethylthio)acetyl]-1,4-diazepan-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide Formula: C24H28F3N3O3S MolecularWeight: 495.55763

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)CSCCOC2=CC=CC=C2)CC(=O)NC3=CC=CC=C3C(F)(F)F

Isomeric SMILES

C1CN(CCN(C1)C(=O)CSCCOC2=CC=CC=C2)CC(=O)NC3=CC=CC=C3C(F)(F)F

InChI

InChI=1S/C24H28F3N3O3S/c25-24(26,27)20-9-4-5-10-21(20)28-22(31)17-29-11-6-12-30(14-13-29)23(32)18-34-16-15-33-19-7-2-1-3-8-19/h1-5,7-10H,6,11-18H2,(H,28,31)