6-(4-phenylpiperidin-4-yl)-3-(2-propan-2-ylphenyl)sulfanyl-pyran-2-one

Systemtic Name: 6-(4-phenylpiperidin-4-yl)-3-(2-propan-2-ylphenyl)sulfanyl-pyran-2-one Openeye Name: 3-(2-isopropylphenyl)sulfanyl-6-(4-phenyl-4-piperidyl)pyran-2-one CAS Name: 6-(4-phenyl-4-piperidinyl)-3-[(2-propan-2-ylphenyl)thio]-2-pyranone IUPAC Name: 6-(4-phenylpiperidin-4-yl)-3-(2-propan-2-ylphenyl)sulfanylpyran-2-one Traditional Name: 3-(o-cumenylthio)-6-(4-phenyl-4-piperidyl)pyran-2-one Formula: C25H27NO2S MolecularWeight: 405.55238

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1SC2=CC=C(OC2=O)C3(CCNCC3)C4=CC=CC=C4

Isomeric SMILES

CC(C)C1=CC=CC=C1SC2=CC=C(OC2=O)C3(CCNCC3)C4=CC=CC=C4

InChI

InChI=1S/C25H27NO2S/c1-18(2)20-10-6-7-11-21(20)29-22-12-13-23(28-24(22)27)25(14-16-26-17-15-25)19-8-4-3-5-9-19/h3-13,18,26H,14-17H2,1-2H3