1-(4-pyridin-2-ylpiperazin-1-yl)-3-[1-(thian-4-yl)piperidin-3-yl]propan-1-one

Systemtic Name: 1-(4-pyridin-2-ylpiperazin-1-yl)-3-[1-(thian-4-yl)piperidin-3-yl]propan-1-one Openeye Name: 1-[4-(2-pyridyl)piperazin-1-yl]-3-(1-tetrahydrothiopyran-4-yl-3-piperidyl)propan-1-one CAS Name: 1-[4-(2-pyridinyl)-1-piperazinyl]-3-[1-(4-thianyl)-3-piperidinyl]-1-propanone IUPAC Name: 1-(4-pyridin-2-ylpiperazin-1-yl)-3-[1-(thian-4-yl)piperidin-3-yl]propan-1-one Traditional Name: 1-[4-(2-pyridyl)piperazino]-3-(1-tetrahydrothiopyran-4-yl-3-piperidyl)propan-1-one Formula: C22H34N4OS MolecularWeight: 402.59656

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2CCSCC2)CCC(=O)N3CCN(CC3)C4=CC=CC=N4

Isomeric SMILES

C1CC(CN(C1)C2CCSCC2)CCC(=O)N3CCN(CC3)C4=CC=CC=N4

InChI

InChI=1S/C22H34N4OS/c27-22(25-14-12-24(13-15-25)21-5-1-2-10-23-21)7-6-19-4-3-11-26(18-19)20-8-16-28-17-9-20/h1-2,5,10,19-20H,3-4,6-9,11-18H2