N-[[(3S)-1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-2-pyrimidin-2-ylsulfanyl-ethanamide

Systemtic Name: N-[[(3S)-1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-2-pyrimidin-2-ylsulfanyl-ethanamide Openeye Name: N-[[(3S)-1-[2-(4-fluorophenyl)ethyl]-3-piperidyl]methyl]-N-methyl-2-pyrimidin-2-ylsulfanyl-acetamide CAS Name: N-[[(3S)-1-[2-(4-fluorophenyl)ethyl]-3-piperidinyl]methyl]-N-methyl-2-(2-pyrimidinylthio)acetamide IUPAC Name: N-[[(3S)-1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-2-pyrimidin-2-ylsulfanylacetamide Traditional Name: N-[[(3S)-1-[2-(4-fluorophenyl)ethyl]-3-piperidyl]methyl]-N-methyl-2-(2-pyrimidylthio)acetamide Formula: C21H27FN4OS MolecularWeight: 402.528683

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1CCCN(C1)CCC2=CC=C(C=C2)F)C(=O)CSC3=NC=CC=N3

Isomeric SMILES

CN(C[C@H]1CCCN(C1)CCC2=CC=C(C=C2)F)C(=O)CSC3=NC=CC=N3

InChI

InChI=1S/C21H27FN4OS/c1-25(20(27)16-28-21-23-10-3-11-24-21)14-18-4-2-12-26(15-18)13-9-17-5-7-19(22)8-6-17/h3,5-8,10-11,18H,2,4,9,12-16H2,1H3/t18-/m1/s1