6-oxidanyl-5-phenethylsulfanyl-2-phenyl-2-(2-piperazin-1-ylethyl)-3H-pyran-4-one

Systemtic Name: 6-oxidanyl-5-phenethylsulfanyl-2-phenyl-2-(2-piperazin-1-ylethyl)-3H-pyran-4-one Openeye Name: 6-hydroxy-5-phenethylsulfanyl-2-phenyl-2-(2-piperazin-1-ylethyl)-3H-pyran-4-one CAS Name: 6-hydroxy-5-(phenethylthio)-2-phenyl-2-[2-(1-piperazinyl)ethyl]-3H-pyran-4-one IUPAC Name: 6-hydroxy-5-phenethylsulfanyl-2-phenyl-2-(2-piperazin-1-ylethyl)-3H-pyran-4-one Traditional Name: 6-hydroxy-5-(phenethylthio)-2-phenyl-2-(2-piperazinoethyl)-3H-pyran-4-one Formula: C25H30N2O3S MolecularWeight: 438.5823

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)CCC2(CC(=O)C(=C(O2)O)SCCC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1)CCC2(CC(=O)C(=C(O2)O)SCCC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H30N2O3S/c28-22-19-25(21-9-5-2-6-10-21,12-15-27-16-13-26-14-17-27)30-24(29)23(22)31-18-11-20-7-3-1-4-8-20/h1-10,26,29H,11-19H2