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

Systemtic Name: 6-oxidanyl-2-phenyl-5-(phenylmethylsulfanyl)-2-(4-piperazin-1-ylbutyl)-3H-pyran-4-one Openeye Name: 5-benzylsulfanyl-6-hydroxy-2-phenyl-2-(4-piperazin-1-ylbutyl)-3H-pyran-4-one CAS Name: 6-hydroxy-2-phenyl-5-(phenylmethylthio)-2-[4-(1-piperazinyl)butyl]-3H-pyran-4-one IUPAC Name: 5-benzylsulfanyl-6-hydroxy-2-phenyl-2-(4-piperazin-1-ylbutyl)-3H-pyran-4-one Traditional Name: 5-(benzylthio)-6-hydroxy-2-phenyl-2-(4-piperazinobutyl)-3H-pyran-4-one Formula: C26H32N2O3S MolecularWeight: 452.60888

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H32N2O3S/c29-23-19-26(22-11-5-2-6-12-22,13-7-8-16-28-17-14-27-15-18-28)31-25(30)24(23)32-20-21-9-3-1-4-10-21/h1-6,9-12,27,30H,7-8,13-20H2