2-[4-(4-methylpiperazin-1-yl)butyl]-6-oxidanyl-2-phenyl-5-(2-propan-2-ylphenyl)sulfanyl-3H-pyran-4-one

Systemtic Name: 2-[4-(4-methylpiperazin-1-yl)butyl]-6-oxidanyl-2-phenyl-5-(2-propan-2-ylphenyl)sulfanyl-3H-pyran-4-one Openeye Name: 6-hydroxy-5-(2-isopropylphenyl)sulfanyl-2-[4-(4-methylpiperazin-1-yl)butyl]-2-phenyl-3H-pyran-4-one CAS Name: 6-hydroxy-2-[4-(4-methyl-1-piperazinyl)butyl]-2-phenyl-5-[(2-propan-2-ylphenyl)thio]-3H-pyran-4-one IUPAC Name: 6-hydroxy-2-[4-(4-methylpiperazin-1-yl)butyl]-2-phenyl-5-(2-propan-2-ylphenyl)sulfanyl-3H-pyran-4-one Traditional Name: 6-hydroxy-2-[4-(4-methylpiperazino)butyl]-5-(o-cumenylthio)-2-phenyl-3H-pyran-4-one Formula: C29H38N2O3S MolecularWeight: 494.68862

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1SC2=C(OC(CC2=O)(CCCCN3CCN(CC3)C)C4=CC=CC=C4)O

Isomeric SMILES

CC(C)C1=CC=CC=C1SC2=C(OC(CC2=O)(CCCCN3CCN(CC3)C)C4=CC=CC=C4)O

InChI

InChI=1S/C29H38N2O3S/c1-22(2)24-13-7-8-14-26(24)35-27-25(32)21-29(34-28(27)33,23-11-5-4-6-12-23)15-9-10-16-31-19-17-30(3)18-20-31/h4-8,11-14,22,33H,9-10,15-21H2,1-3H3