[1-[4-(3-methyl-3-oxidanyl-but-1-ynyl)phenyl]carbonylpiperidin-3-yl]-(2-methylsulfanylphenyl)methanone

Systemtic Name: [1-[4-(3-methyl-3-oxidanyl-but-1-ynyl)phenyl]carbonylpiperidin-3-yl]-(2-methylsulfanylphenyl)methanone Openeye Name: [1-[4-(3-hydroxy-3-methyl-but-1-ynyl)benzoyl]-3-piperidyl]-(2-methylsulfanylphenyl)methanone CAS Name: [1-[[4-(3-hydroxy-3-methylbut-1-ynyl)phenyl]-oxomethyl]-3-piperidinyl]-[2-(methylthio)phenyl]methanone IUPAC Name: [1-[4-(3-hydroxy-3-methylbut-1-ynyl)benzoyl]piperidin-3-yl]-(2-methylsulfanylphenyl)methanone Traditional Name: [1-[4-(3-hydroxy-3-methyl-but-1-ynyl)benzoyl]-3-piperidyl]-[2-(methylthio)phenyl]methanone Formula: C25H27NO3S MolecularWeight: 421.55178

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#CC1=CC=C(C=C1)C(=O)N2CCCC(C2)C(=O)C3=CC=CC=C3SC)O

Isomeric SMILES

CC(C)(C#CC1=CC=C(C=C1)C(=O)N2CCCC(C2)C(=O)C3=CC=CC=C3SC)O

InChI

InChI=1S/C25H27NO3S/c1-25(2,29)15-14-18-10-12-19(13-11-18)24(28)26-16-6-7-20(17-26)23(27)21-8-4-5-9-22(21)30-3/h4-5,8-13,20,29H,6-7,16-17H2,1-3H3