2-(dimethylaminomethyl)-1-[4-(3-methylbutylsulfanyl)phenyl]hexan-1-one

Systemtic Name: 2-(dimethylaminomethyl)-1-[4-(3-methylbutylsulfanyl)phenyl]hexan-1-one Openeye Name: 2-(dimethylaminomethyl)-1-(4-isopentylsulfanylphenyl)hexan-1-one CAS Name: 2-(dimethylaminomethyl)-1-[4-(3-methylbutylthio)phenyl]-1-hexanone IUPAC Name: 2-(dimethylaminomethyl)-1-[4-(3-methylbutylsulfanyl)phenyl]hexan-1-one Traditional Name: 2-(dimethylaminomethyl)-1-[4-(isoamylthio)phenyl]hexan-1-one Formula: C20H33NOS MolecularWeight: 335.54712

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CN(C)C)C(=O)C1=CC=C(C=C1)SCCC(C)C

Isomeric SMILES

CCCCC(CN(C)C)C(=O)C1=CC=C(C=C1)SCCC(C)C

InChI

InChI=1S/C20H33NOS/c1-6-7-8-18(15-21(4)5)20(22)17-9-11-19(12-10-17)23-14-13-16(2)3/h9-12,16,18H,6-8,13-15H2,1-5H3