[1-[[3-(hydroxymethyl)-4-propan-2-yloxy-phenyl]methyl]piperidin-3-yl]-(4-methylsulfanylphenyl)methanone

Systemtic Name: [1-[[3-(hydroxymethyl)-4-propan-2-yloxy-phenyl]methyl]piperidin-3-yl]-(4-methylsulfanylphenyl)methanone Openeye Name: [1-[[3-(hydroxymethyl)-4-isopropoxy-phenyl]methyl]-3-piperidyl]-(4-methylsulfanylphenyl)methanone CAS Name: [1-[[3-(hydroxymethyl)-4-propan-2-yloxyphenyl]methyl]-3-piperidinyl]-[4-(methylthio)phenyl]methanone IUPAC Name: [1-[[3-(hydroxymethyl)-4-propan-2-yloxyphenyl]methyl]piperidin-3-yl]-(4-methylsulfanylphenyl)methanone Traditional Name: [1-(4-isopropoxy-3-methylol-benzyl)-3-piperidyl]-[4-(methylthio)phenyl]methanone Formula: C24H31NO3S MolecularWeight: 413.57284

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1)CN2CCCC(C2)C(=O)C3=CC=C(C=C3)SC)CO

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1)CN2CCCC(C2)C(=O)C3=CC=C(C=C3)SC)CO

InChI

InChI=1S/C24H31NO3S/c1-17(2)28-23-11-6-18(13-21(23)16-26)14-25-12-4-5-20(15-25)24(27)19-7-9-22(29-3)10-8-19/h6-11,13,17,20,26H,4-5,12,14-16H2,1-3H3