5-[(2-chlorophenyl)methoxy]-2-[[4-(3-methylsulfanylpropanoyl)piperazin-1-yl]methyl]pyran-4-one

Systemtic Name: 5-[(2-chlorophenyl)methoxy]-2-[[4-(3-methylsulfanylpropanoyl)piperazin-1-yl]methyl]pyran-4-one Openeye Name: 5-[(2-chlorophenyl)methoxy]-2-[[4-(3-methylsulfanylpropanoyl)piperazin-1-yl]methyl]pyran-4-one CAS Name: 5-[(2-chlorophenyl)methoxy]-2-[[4-[3-(methylthio)-1-oxopropyl]-1-piperazinyl]methyl]-4-pyranone IUPAC Name: 5-[(2-chlorophenyl)methoxy]-2-[[4-(3-methylsulfanylpropanoyl)piperazin-1-yl]methyl]pyran-4-one Traditional Name: 5-(2-chlorobenzyl)oxy-2-[[4-[3-(methylthio)propanoyl]piperazino]methyl]pyran-4-one Formula: C21H25ClN2O4S MolecularWeight: 436.9522

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(=O)N1CCN(CC1)CC2=CC(=O)C(=CO2)OCC3=CC=CC=C3Cl

Isomeric SMILES

CSCCC(=O)N1CCN(CC1)CC2=CC(=O)C(=CO2)OCC3=CC=CC=C3Cl

InChI

InChI=1S/C21H25ClN2O4S/c1-29-11-6-21(26)24-9-7-23(8-10-24)13-17-12-19(25)20(15-27-17)28-14-16-4-2-3-5-18(16)22/h2-5,12,15H,6-11,13-14H2,1H3