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

Systemtic Name: 2-[4-(4-methylpiperazin-1-yl)-4-oxidanylidene-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)-4-oxo-butyl]-2-phenyl-3H-pyran-4-one CAS Name: 6-hydroxy-2-[4-(4-methyl-1-piperazinyl)-4-oxobutyl]-2-phenyl-5-[(2-propan-2-ylphenyl)thio]-3H-pyran-4-one IUPAC Name: 6-hydroxy-2-[4-(4-methylpiperazin-1-yl)-4-oxobutyl]-2-phenyl-5-(2-propan-2-ylphenyl)sulfanyl-3H-pyran-4-one Traditional Name: 6-hydroxy-2-[4-keto-4-(4-methylpiperazino)butyl]-5-(o-cumenylthio)-2-phenyl-3H-pyran-4-one Formula: C29H36N2O4S MolecularWeight: 508.67214

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1SC2=C(OC(CC2=O)(CCCC(=O)N3CCN(CC3)C)C4=CC=CC=C4)O

Isomeric SMILES

CC(C)C1=CC=CC=C1SC2=C(OC(CC2=O)(CCCC(=O)N3CCN(CC3)C)C4=CC=CC=C4)O

InChI

InChI=1S/C29H36N2O4S/c1-21(2)23-12-7-8-13-25(23)36-27-24(32)20-29(35-28(27)34,22-10-5-4-6-11-22)15-9-14-26(33)31-18-16-30(3)17-19-31/h4-8,10-13,21,34H,9,14-20H2,1-3H3