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

Systemtic Name: 2-[4-(4-methylpiperazin-1-yl)butyl]-6-oxidanyl-2-phenyl-5-(phenylmethylsulfanyl)-3H-pyran-4-one Openeye Name: 5-benzylsulfanyl-6-hydroxy-2-[4-(4-methylpiperazin-1-yl)butyl]-2-phenyl-3H-pyran-4-one CAS Name: 6-hydroxy-2-[4-(4-methyl-1-piperazinyl)butyl]-2-phenyl-5-(phenylmethylthio)-3H-pyran-4-one IUPAC Name: 5-benzylsulfanyl-6-hydroxy-2-[4-(4-methylpiperazin-1-yl)butyl]-2-phenyl-3H-pyran-4-one Traditional Name: 5-(benzylthio)-6-hydroxy-2-[4-(4-methylpiperazino)butyl]-2-phenyl-3H-pyran-4-one Formula: C27H34N2O3S MolecularWeight: 466.63546

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H34N2O3S/c1-28-16-18-29(19-17-28)15-9-8-14-27(23-12-6-3-7-13-23)20-24(30)25(26(31)32-27)33-21-22-10-4-2-5-11-22/h2-7,10-13,31H,8-9,14-21H2,1H3