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

Systemtic Name: 2-[3-(4-methylpiperazin-1-yl)-3-oxidanylidene-propyl]-6-oxidanyl-2-phenyl-5-(phenylmethylsulfanyl)-3H-pyran-4-one Openeye Name: 5-benzylsulfanyl-6-hydroxy-2-[3-(4-methylpiperazin-1-yl)-3-oxo-propyl]-2-phenyl-3H-pyran-4-one CAS Name: 6-hydroxy-2-[3-(4-methyl-1-piperazinyl)-3-oxopropyl]-2-phenyl-5-(phenylmethylthio)-3H-pyran-4-one IUPAC Name: 5-benzylsulfanyl-6-hydroxy-2-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-2-phenyl-3H-pyran-4-one Traditional Name: 5-(benzylthio)-6-hydroxy-2-[3-keto-3-(4-methylpiperazino)propyl]-2-phenyl-3H-pyran-4-one Formula: C26H30N2O4S MolecularWeight: 466.5924

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)CCC2(CC(=O)C(=C(O2)O)SCC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CN1CCN(CC1)C(=O)CCC2(CC(=O)C(=C(O2)O)SCC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C26H30N2O4S/c1-27-14-16-28(17-15-27)23(30)12-13-26(21-10-6-3-7-11-21)18-22(29)24(25(31)32-26)33-19-20-8-4-2-5-9-20/h2-11,31H,12-19H2,1H3