1-[4-[2-(4-fluorophenyl)sulfanyl-4-methoxy-phenyl]-1-(2-methylbut-3-en-2-yl)piperidin-4-yl]propan-1-one

Systemtic Name: 1-[4-[2-(4-fluorophenyl)sulfanyl-4-methoxy-phenyl]-1-(2-methylbut-3-en-2-yl)piperidin-4-yl]propan-1-one Openeye Name: 1-[1-(1,1-dimethylallyl)-4-[2-(4-fluorophenyl)sulfanyl-4-methoxy-phenyl]-4-piperidyl]propan-1-one CAS Name: 1-[4-[2-[(4-fluorophenyl)thio]-4-methoxyphenyl]-1-(2-methylbut-3-en-2-yl)-4-piperidinyl]-1-propanone IUPAC Name: 1-[4-[2-(4-fluorophenyl)sulfanyl-4-methoxyphenyl]-1-(2-methylbut-3-en-2-yl)piperidin-4-yl]propan-1-one Traditional Name: 1-[1-(1,1-dimethylallyl)-4-[2-[(4-fluorophenyl)thio]-4-methoxy-phenyl]-4-piperidyl]propan-1-one Formula: C26H32FNO2S MolecularWeight: 441.601183

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1(CCN(CC1)C(C)(C)C=C)C2=C(C=C(C=C2)OC)SC3=CC=C(C=C3)F

Isomeric SMILES

CCC(=O)C1(CCN(CC1)C(C)(C)C=C)C2=C(C=C(C=C2)OC)SC3=CC=C(C=C3)F

InChI

InChI=1S/C26H32FNO2S/c1-6-24(29)26(14-16-28(17-15-26)25(3,4)7-2)22-13-10-20(30-5)18-23(22)31-21-11-8-19(27)9-12-21/h7-13,18H,2,6,14-17H2,1,3-5H3