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2-(dimethylamino)-1-(4-octylsulfanylphenyl)-2-(phenylmethyl)butan-1-one

2-(dimethylamino)-1-(4-octylsulfanylphenyl)-2-(phenylmethyl)butan-1-one

Systemtic Name:2-(dimethylamino)-1-(4-octylsulfanylphenyl)-2-(phenylmethyl)butan-1-one
Openeye Name:2-benzyl-2-(dimethylamino)-1-(4-octylsulfanylphenyl)butan-1-one
CAS Name:2-(dimethylamino)-1-[4-(octylthio)phenyl]-2-(phenylmethyl)-1-butanone
IUPAC Name:2-benzyl-2-(dimethylamino)-1-(4-octylsulfanylphenyl)butan-1-one
Traditional Name:2-benzyl-2-(dimethylamino)-1-[4-(octylthio)phenyl]butan-1-one
Formula: C27H39NOS
MolecularWeight: 425.66966
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCSC1=CC=C(C=C1)C(=O)C(CC)(CC2=CC=CC=C2)N(C)C


Isomeric SMILES

CCCCCCCCSC1=CC=C(C=C1)C(=O)C(CC)(CC2=CC=CC=C2)N(C)C


InChI

InChI=1S/C27H39NOS/c1-5-7-8-9-10-14-21-30-25-19-17-24(18-20-25)26(29)27(6-2,28(3)4)22-23-15-12-11-13-16-23/h11-13,15-20H,5-10,14,21-22H2,1-4H3


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