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

Systemtic Name: 6-oxidanyl-2-(5-oxidanylidene-5-piperazin-1-yl-pentyl)-2-phenyl-5-(2-propan-2-ylphenyl)sulfanyl-3H-pyran-4-one Openeye Name: 6-hydroxy-5-(2-isopropylphenyl)sulfanyl-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-[(2-propan-2-ylphenyl)thio]-3H-pyran-4-one IUPAC Name: 6-hydroxy-2-(5-oxo-5-piperazin-1-ylpentyl)-2-phenyl-5-(2-propan-2-ylphenyl)sulfanyl-3H-pyran-4-one Traditional Name: 6-hydroxy-2-(5-keto-5-piperazino-pentyl)-5-(o-cumenylthio)-2-phenyl-3H-pyran-4-one Formula: C29H36N2O4S MolecularWeight: 508.67214

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1SC2=C(OC(CC2=O)(CCCCC(=O)N3CCNCC3)C4=CC=CC=C4)O

Isomeric SMILES

CC(C)C1=CC=CC=C1SC2=C(OC(CC2=O)(CCCCC(=O)N3CCNCC3)C4=CC=CC=C4)O

InChI

InChI=1S/C29H36N2O4S/c1-21(2)23-12-6-7-13-25(23)36-27-24(32)20-29(35-28(27)34,22-10-4-3-5-11-22)15-9-8-14-26(33)31-18-16-30-17-19-31/h3-7,10-13,21,30,34H,8-9,14-20H2,1-2H3