4-(4-butylpiperidin-1-yl)-1-(2-methylsulfanylphenyl)butan-1-one

Systemtic Name: 4-(4-butylpiperidin-1-yl)-1-(2-methylsulfanylphenyl)butan-1-one Openeye Name: 4-(4-butyl-1-piperidyl)-1-(2-methylsulfanylphenyl)butan-1-one CAS Name: 4-(4-butyl-1-piperidinyl)-1-[2-(methylthio)phenyl]-1-butanone IUPAC Name: 4-(4-butylpiperidin-1-yl)-1-(2-methylsulfanylphenyl)butan-1-one Traditional Name: 4-(4-butylpiperidino)-1-[2-(methylthio)phenyl]butan-1-one Formula: C20H31NOS MolecularWeight: 333.53124

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CCN(CC1)CCCC(=O)C2=CC=CC=C2SC

Isomeric SMILES

CCCCC1CCN(CC1)CCCC(=O)C2=CC=CC=C2SC

InChI

InChI=1S/C20H31NOS/c1-3-4-8-17-12-15-21(16-13-17)14-7-10-19(22)18-9-5-6-11-20(18)23-2/h5-6,9,11,17H,3-4,7-8,10,12-16H2,1-2H3