3-[1-(2-methylsulfanylethanoyl)piperidin-3-yl]-1-[4-(phenylmethyl)piperazin-1-yl]propan-1-one

Systemtic Name: 3-[1-(2-methylsulfanylethanoyl)piperidin-3-yl]-1-[4-(phenylmethyl)piperazin-1-yl]propan-1-one Openeye Name: 1-(4-benzylpiperazin-1-yl)-3-[1-(2-methylsulfanylacetyl)-3-piperidyl]propan-1-one CAS Name: 3-[1-[2-(methylthio)-1-oxoethyl]-3-piperidinyl]-1-[4-(phenylmethyl)-1-piperazinyl]-1-propanone IUPAC Name: 1-(4-benzylpiperazin-1-yl)-3-[1-(2-methylsulfanylacetyl)piperidin-3-yl]propan-1-one Traditional Name: 1-(4-benzylpiperazino)-3-[1-[2-(methylthio)acetyl]-3-piperidyl]propan-1-one Formula: C22H33N3O2S MolecularWeight: 403.58132

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Descriptors Computed from Structure

Canonical SMILES:

CSCC(=O)N1CCCC(C1)CCC(=O)N2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CSCC(=O)N1CCCC(C1)CCC(=O)N2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C22H33N3O2S/c1-28-18-22(27)25-11-5-8-20(17-25)9-10-21(26)24-14-12-23(13-15-24)16-19-6-3-2-4-7-19/h2-4,6-7,20H,5,8-18H2,1H3