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

Systemtic Name: 6-oxidanyl-2-(5-oxidanylidene-5-piperazin-1-yl-pentyl)-2-phenyl-5-(phenylmethylsulfanyl)-3H-pyran-4-one Openeye Name: 5-benzylsulfanyl-6-hydroxy-2-(5-oxo-5-piperazin-1-yl-pentyl)-2-phenyl-3H-pyran-4-one CAS Name: 6-hydroxy-2-[5-oxo-5-(1-piperazinyl)pentyl]-2-phenyl-5-(phenylmethylthio)-3H-pyran-4-one IUPAC Name: 5-benzylsulfanyl-6-hydroxy-2-(5-oxo-5-piperazin-1-ylpentyl)-2-phenyl-3H-pyran-4-one Traditional Name: 5-(benzylthio)-6-hydroxy-2-(5-keto-5-piperazino-pentyl)-2-phenyl-3H-pyran-4-one Formula: C27H32N2O4S MolecularWeight: 480.61898

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C(=O)CCCCC2(CC(=O)C(=C(O2)O)SCC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1)C(=O)CCCCC2(CC(=O)C(=C(O2)O)SCC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H32N2O4S/c30-23-19-27(22-11-5-2-6-12-22,14-8-7-13-24(31)29-17-15-28-16-18-29)33-26(32)25(23)34-20-21-9-3-1-4-10-21/h1-6,9-12,28,32H,7-8,13-20H2