2-[5-(4-methylpiperazin-1-yl)-5-oxidanylidene-pentyl]-6-oxidanyl-2-phenyl-5-(phenylmethylsulfanyl)-3H-pyran-4-one

Systemtic Name: 2-[5-(4-methylpiperazin-1-yl)-5-oxidanylidene-pentyl]-6-oxidanyl-2-phenyl-5-(phenylmethylsulfanyl)-3H-pyran-4-one Openeye Name: 5-benzylsulfanyl-6-hydroxy-2-[5-(4-methylpiperazin-1-yl)-5-oxo-pentyl]-2-phenyl-3H-pyran-4-one CAS Name: 6-hydroxy-2-[5-(4-methyl-1-piperazinyl)-5-oxopentyl]-2-phenyl-5-(phenylmethylthio)-3H-pyran-4-one IUPAC Name: 5-benzylsulfanyl-6-hydroxy-2-[5-(4-methylpiperazin-1-yl)-5-oxopentyl]-2-phenyl-3H-pyran-4-one Traditional Name: 5-(benzylthio)-6-hydroxy-2-[5-keto-5-(4-methylpiperazino)pentyl]-2-phenyl-3H-pyran-4-one Formula: C28H34N2O4S MolecularWeight: 494.64556

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)CCCCC2(CC(=O)C(=C(O2)O)SCC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CN1CCN(CC1)C(=O)CCCCC2(CC(=O)C(=C(O2)O)SCC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C28H34N2O4S/c1-29-16-18-30(19-17-29)25(32)14-8-9-15-28(23-12-6-3-7-13-23)20-24(31)26(27(33)34-28)35-21-22-10-4-2-5-11-22/h2-7,10-13,33H,8-9,14-21H2,1H3