[2-oxidanylidene-2-[[3-(trifluoromethyl)phenyl]amino]ethyl] N-phenylazepane-1-carboximidothioate

Systemtic Name: [2-oxidanylidene-2-[[3-(trifluoromethyl)phenyl]amino]ethyl] N-phenylazepane-1-carboximidothioate Openeye Name: [2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] N-phenylazepane-1-carboximidothioate CAS Name: N-phenyl-1-azepanecarboximidothioic acid [2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] ester IUPAC Name: [2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] N-phenylazepane-1-carboximidothioate Traditional Name: N-phenylazepane-1-carboximidothioic acid [2-keto-2-[3-(trifluoromethyl)anilino]ethyl] ester Formula: C22H24F3N3OS MolecularWeight: 435.50567

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=NC2=CC=CC=C2)SCC(=O)NC3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

C1CCCN(CC1)C(=NC2=CC=CC=C2)SCC(=O)NC3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C22H24F3N3OS/c23-22(24,25)17-9-8-12-19(15-17)26-20(29)16-30-21(27-18-10-4-3-5-11-18)28-13-6-1-2-7-14-28/h3-5,8-12,15H,1-2,6-7,13-14,16H2,(H,26,29)