2-(4-methylquinolin-2-yl)sulfanyl-1-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]ethanone

Systemtic Name: 2-(4-methylquinolin-2-yl)sulfanyl-1-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]ethanone Openeye Name: 2-[(4-methyl-2-quinolyl)sulfanyl]-1-[4-[5-(trifluoromethyl)-2-pyridyl]piperazin-1-yl]ethanone CAS Name: 2-[(4-methyl-2-quinolinyl)thio]-1-[4-[5-(trifluoromethyl)-2-pyridinyl]-1-piperazinyl]ethanone IUPAC Name: 2-(4-methylquinolin-2-yl)sulfanyl-1-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]ethanone Traditional Name: 2-[(4-methyl-2-quinolyl)thio]-1-[4-[5-(trifluoromethyl)-2-pyridyl]piperazino]ethanone Formula: C22H21F3N4OS MolecularWeight: 446.48855

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=CC=CC=C12)SCC(=O)N3CCN(CC3)C4=NC=C(C=C4)C(F)(F)F

Isomeric SMILES

CC1=CC(=NC2=CC=CC=C12)SCC(=O)N3CCN(CC3)C4=NC=C(C=C4)C(F)(F)F

InChI

InChI=1S/C22H21F3N4OS/c1-15-12-20(27-18-5-3-2-4-17(15)18)31-14-21(30)29-10-8-28(9-11-29)19-7-6-16(13-26-19)22(23,24)25/h2-7,12-13H,8-11,14H2,1H3