[1-[[5-(3-methyl-3-oxidanyl-but-1-ynyl)thiophen-2-yl]methyl]piperidin-3-yl]-(4-methylsulfanylphenyl)methanone

Systemtic Name: [1-[[5-(3-methyl-3-oxidanyl-but-1-ynyl)thiophen-2-yl]methyl]piperidin-3-yl]-(4-methylsulfanylphenyl)methanone Openeye Name: [1-[[5-(3-hydroxy-3-methyl-but-1-ynyl)-2-thienyl]methyl]-3-piperidyl]-(4-methylsulfanylphenyl)methanone CAS Name: [1-[[5-(3-hydroxy-3-methylbut-1-ynyl)-2-thiophenyl]methyl]-3-piperidinyl]-[4-(methylthio)phenyl]methanone IUPAC Name: [1-[[5-(3-hydroxy-3-methylbut-1-ynyl)thiophen-2-yl]methyl]piperidin-3-yl]-(4-methylsulfanylphenyl)methanone Traditional Name: [1-[[5-(3-hydroxy-3-methyl-but-1-ynyl)-2-thienyl]methyl]-3-piperidyl]-[4-(methylthio)phenyl]methanone Formula: C23H27NO2S2 MolecularWeight: 413.59598

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#CC1=CC=C(S1)CN2CCCC(C2)C(=O)C3=CC=C(C=C3)SC)O

Isomeric SMILES

CC(C)(C#CC1=CC=C(S1)CN2CCCC(C2)C(=O)C3=CC=C(C=C3)SC)O

InChI

InChI=1S/C23H27NO2S2/c1-23(2,26)13-12-20-10-11-21(28-20)16-24-14-4-5-18(15-24)22(25)17-6-8-19(27-3)9-7-17/h6-11,18,26H,4-5,14-16H2,1-3H3