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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)CCCC2(CC(=O)C(=C(O2)O)SCC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CN1CCN(CC1)C(=O)CCCC2(CC(=O)C(=C(O2)O)SCC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H32N2O4S/c1-28-15-17-29(18-16-28)24(31)13-8-14-27(22-11-6-3-7-12-22)19-23(30)25(26(32)33-27)34-20-21-9-4-2-5-10-21/h2-7,9-12,32H,8,13-20H2,1H3