5-[(4-methylsulfanylphenyl)methyl]-5-[3-oxidanylidene-3-[4-(pyridin-2-ylmethyl)piperazin-1-yl]propyl]pyrrolidin-2-one

Systemtic Name: 5-[(4-methylsulfanylphenyl)methyl]-5-[3-oxidanylidene-3-[4-(pyridin-2-ylmethyl)piperazin-1-yl]propyl]pyrrolidin-2-one Openeye Name: 5-[(4-methylsulfanylphenyl)methyl]-5-[3-oxo-3-[4-(2-pyridylmethyl)piperazin-1-yl]propyl]pyrrolidin-2-one CAS Name: 5-[[4-(methylthio)phenyl]methyl]-5-[3-oxo-3-[4-(2-pyridinylmethyl)-1-piperazinyl]propyl]-2-pyrrolidinone IUPAC Name: 5-[(4-methylsulfanylphenyl)methyl]-5-[3-oxo-3-[4-(pyridin-2-ylmethyl)piperazin-1-yl]propyl]pyrrolidin-2-one Traditional Name: 5-[3-keto-3-[4-(2-pyridylmethyl)piperazino]propyl]-5-[4-(methylthio)benzyl]-2-pyrrolidone Formula: C25H32N4O2S MolecularWeight: 452.61218

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)CC2(CCC(=O)N2)CCC(=O)N3CCN(CC3)CC4=CC=CC=N4

Isomeric SMILES

CSC1=CC=C(C=C1)CC2(CCC(=O)N2)CCC(=O)N3CCN(CC3)CC4=CC=CC=N4

InChI

InChI=1S/C25H32N4O2S/c1-32-22-7-5-20(6-8-22)18-25(11-9-23(30)27-25)12-10-24(31)29-16-14-28(15-17-29)19-21-4-2-3-13-26-21/h2-8,13H,9-12,14-19H2,1H3,(H,27,30)