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

Systemtic Name: 6-oxidanyl-2-(3-oxidanylidene-3-piperazin-1-yl-propyl)-2-phenyl-5-(phenylmethylsulfanyl)-3H-pyran-4-one Openeye Name: 5-benzylsulfanyl-6-hydroxy-2-(3-oxo-3-piperazin-1-yl-propyl)-2-phenyl-3H-pyran-4-one CAS Name: 6-hydroxy-2-[3-oxo-3-(1-piperazinyl)propyl]-2-phenyl-5-(phenylmethylthio)-3H-pyran-4-one IUPAC Name: 5-benzylsulfanyl-6-hydroxy-2-(3-oxo-3-piperazin-1-ylpropyl)-2-phenyl-3H-pyran-4-one Traditional Name: 5-(benzylthio)-6-hydroxy-2-(3-keto-3-piperazino-propyl)-2-phenyl-3H-pyran-4-one Formula: C25H28N2O4S MolecularWeight: 452.56582

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C(=O)CCC2(CC(=O)C(=C(O2)O)SCC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1)C(=O)CCC2(CC(=O)C(=C(O2)O)SCC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H28N2O4S/c28-21-17-25(20-9-5-2-6-10-20,12-11-22(29)27-15-13-26-14-16-27)31-24(30)23(21)32-18-19-7-3-1-4-8-19/h1-10,26,30H,11-18H2