3-(2,5-dimethyl-4-thiomorpholin-4-ylcarbonyl-piperazin-1-yl)-2-(trifluoromethyl)benzenecarbonitrile

Systemtic Name: 3-(2,5-dimethyl-4-thiomorpholin-4-ylcarbonyl-piperazin-1-yl)-2-(trifluoromethyl)benzenecarbonitrile Openeye Name: 3-[2,5-dimethyl-4-(thiomorpholine-4-carbonyl)piperazin-1-yl]-2-(trifluoromethyl)benzonitrile CAS Name: 3-[2,5-dimethyl-4-[oxo(thiomorpholin-4-yl)methyl]-1-piperazinyl]-2-(trifluoromethyl)benzonitrile IUPAC Name: 3-[2,5-dimethyl-4-(thiomorpholine-4-carbonyl)piperazin-1-yl]-2-(trifluoromethyl)benzonitrile Traditional Name: 3-[2,5-dimethyl-4-(thiomorpholine-4-carbonyl)piperazino]-2-(trifluoromethyl)benzonitrile Formula: C19H23F3N4OS MolecularWeight: 412.47233

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CN(C(CN1C(=O)N2CCSCC2)C)C3=CC=CC(=C3C(F)(F)F)C#N

Isomeric SMILES

CC1CN(C(CN1C(=O)N2CCSCC2)C)C3=CC=CC(=C3C(F)(F)F)C#N

InChI

InChI=1S/C19H23F3N4OS/c1-13-12-26(18(27)24-6-8-28-9-7-24)14(2)11-25(13)16-5-3-4-15(10-23)17(16)19(20,21)22/h3-5,13-14H,6-9,11-12H2,1-2H3