6-oxidanyl-2-(4-oxidanylidene-4-piperazin-1-yl-butyl)-2-phenyl-5-(phenylmethylsulfanyl)-3H-pyran-4-one

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C(=O)CCCC2(CC(=O)C(=C(O2)O)SCC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1)C(=O)CCCC2(CC(=O)C(=C(O2)O)SCC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C26H30N2O4S/c29-22-18-26(21-10-5-2-6-11-21,13-7-12-23(30)28-16-14-27-15-17-28)32-25(31)24(22)33-19-20-8-3-1-4-9-20/h1-6,8-11,27,31H,7,12-19H2