4-[[4-[6-fluoranyl-2-(trifluoromethyl)thioxanthen-9-ylidene]piperidin-1-yl]methyl]-1-methyl-cyclohexan-1-ol

Systemtic Name: 4-[[4-[6-fluoranyl-2-(trifluoromethyl)thioxanthen-9-ylidene]piperidin-1-yl]methyl]-1-methyl-cyclohexan-1-ol Openeye Name: 4-[[4-[6-fluoro-2-(trifluoromethyl)thioxanthen-9-ylidene]-1-piperidyl]methyl]-1-methyl-cyclohexanol CAS Name: 4-[[4-[6-fluoro-2-(trifluoromethyl)-9-thioxanthenylidene]-1-piperidinyl]methyl]-1-methyl-1-cyclohexanol IUPAC Name: 4-[[4-[6-fluoro-2-(trifluoromethyl)thioxanthen-9-ylidene]piperidin-1-yl]methyl]-1-methylcyclohexan-1-ol Traditional Name: 4-[[4-[6-fluoro-2-(trifluoromethyl)thioxanthen-9-ylidene]piperidino]methyl]-1-methyl-cyclohexanol Formula: C27H29F4NOS MolecularWeight: 491.583873

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC(CC1)CN2CCC(=C3C4=C(C=C(C=C4)F)SC5=C3C=C(C=C5)C(F)(F)F)CC2)O

Isomeric SMILES

CC1(CCC(CC1)CN2CCC(=C3C4=C(C=C(C=C4)F)SC5=C3C=C(C=C5)C(F)(F)F)CC2)O

InChI

InChI=1S/C27H29F4NOS/c1-26(33)10-6-17(7-11-26)16-32-12-8-18(9-13-32)25-21-4-3-20(28)15-24(21)34-23-5-2-19(14-22(23)25)27(29,30)31/h2-5,14-15,17,33H,6-13,16H2,1H3