2-[[4-(2-cyclopentylethanoyl)piperazin-1-yl]methyl]-5-[(4-methylsulfanylphenyl)methoxy]pyran-4-one

Systemtic Name: 2-[[4-(2-cyclopentylethanoyl)piperazin-1-yl]methyl]-5-[(4-methylsulfanylphenyl)methoxy]pyran-4-one Openeye Name: 2-[[4-(2-cyclopentylacetyl)piperazin-1-yl]methyl]-5-[(4-methylsulfanylphenyl)methoxy]pyran-4-one CAS Name: 2-[[4-(2-cyclopentyl-1-oxoethyl)-1-piperazinyl]methyl]-5-[[4-(methylthio)phenyl]methoxy]-4-pyranone IUPAC Name: 2-[[4-(2-cyclopentylacetyl)piperazin-1-yl]methyl]-5-[(4-methylsulfanylphenyl)methoxy]pyran-4-one Traditional Name: 2-[[4-(2-cyclopentylacetyl)piperazino]methyl]-5-[4-(methylthio)benzyl]oxy-pyran-4-one Formula: C25H32N2O4S MolecularWeight: 456.59758

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)COC2=COC(=CC2=O)CN3CCN(CC3)C(=O)CC4CCCC4

Isomeric SMILES

CSC1=CC=C(C=C1)COC2=COC(=CC2=O)CN3CCN(CC3)C(=O)CC4CCCC4

InChI

InChI=1S/C25H32N2O4S/c1-32-22-8-6-20(7-9-22)17-31-24-18-30-21(15-23(24)28)16-26-10-12-27(13-11-26)25(29)14-19-4-2-3-5-19/h6-9,15,18-19H,2-5,10-14,16-17H2,1H3