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

Systemtic Name: 3-[1-[(4-methylsulfanylphenyl)methyl]piperidin-3-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one Openeye Name: 3-[1-[(4-methylsulfanylphenyl)methyl]-3-piperidyl]-1-[4-(2-pyridyl)piperazin-1-yl]propan-1-one CAS Name: 3-[1-[[4-(methylthio)phenyl]methyl]-3-piperidinyl]-1-[4-(2-pyridinyl)-1-piperazinyl]-1-propanone IUPAC Name: 3-[1-[(4-methylsulfanylphenyl)methyl]piperidin-3-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one Traditional Name: 3-[1-[4-(methylthio)benzyl]-3-piperidyl]-1-[4-(2-pyridyl)piperazino]propan-1-one Formula: C25H34N4OS MolecularWeight: 438.62866

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)CN2CCCC(C2)CCC(=O)N3CCN(CC3)C4=CC=CC=N4

Isomeric SMILES

CSC1=CC=C(C=C1)CN2CCCC(C2)CCC(=O)N3CCN(CC3)C4=CC=CC=N4

InChI

InChI=1S/C25H34N4OS/c1-31-23-10-7-22(8-11-23)20-27-14-4-5-21(19-27)9-12-25(30)29-17-15-28(16-18-29)24-6-2-3-13-26-24/h2-3,6-8,10-11,13,21H,4-5,9,12,14-20H2,1H3