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

Systemtic Name: 6-oxidanyl-2-phenyl-2-(4-piperazin-1-ylbutyl)-5-(2-propan-2-ylphenyl)sulfanyl-3H-pyran-4-one Openeye Name: 6-hydroxy-5-(2-isopropylphenyl)sulfanyl-2-phenyl-2-(4-piperazin-1-ylbutyl)-3H-pyran-4-one CAS Name: 6-hydroxy-2-phenyl-2-[4-(1-piperazinyl)butyl]-5-[(2-propan-2-ylphenyl)thio]-3H-pyran-4-one IUPAC Name: 6-hydroxy-2-phenyl-2-(4-piperazin-1-ylbutyl)-5-(2-propan-2-ylphenyl)sulfanyl-3H-pyran-4-one Traditional Name: 6-hydroxy-5-(o-cumenylthio)-2-phenyl-2-(4-piperazinobutyl)-3H-pyran-4-one Formula: C28H36N2O3S MolecularWeight: 480.66204

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1SC2=C(OC(CC2=O)(CCCCN3CCNCC3)C4=CC=CC=C4)O

Isomeric SMILES

CC(C)C1=CC=CC=C1SC2=C(OC(CC2=O)(CCCCN3CCNCC3)C4=CC=CC=C4)O

InChI

InChI=1S/C28H36N2O3S/c1-21(2)23-12-6-7-13-25(23)34-26-24(31)20-28(33-27(26)32,22-10-4-3-5-11-22)14-8-9-17-30-18-15-29-16-19-30/h3-7,10-13,21,29,32H,8-9,14-20H2,1-2H3