2-(dimethylamino)-1-[3-methoxy-4-(3-sulfanylpropoxy)phenyl]-2-(phenylmethyl)butan-1-one

Systemtic Name: 2-(dimethylamino)-1-[3-methoxy-4-(3-sulfanylpropoxy)phenyl]-2-(phenylmethyl)butan-1-one Openeye Name: 2-benzyl-2-(dimethylamino)-1-[3-methoxy-4-(3-sulfanylpropoxy)phenyl]butan-1-one CAS Name: 2-(dimethylamino)-1-[4-(3-mercaptopropoxy)-3-methoxyphenyl]-2-(phenylmethyl)-1-butanone IUPAC Name: 2-benzyl-2-(dimethylamino)-1-[3-methoxy-4-(3-sulfanylpropoxy)phenyl]butan-1-one Traditional Name: 2-benzyl-2-(dimethylamino)-1-[4-(3-mercaptopropoxy)-3-methoxy-phenyl]butan-1-one Formula: C23H31NO3S MolecularWeight: 401.56214

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC1=CC=CC=C1)(C(=O)C2=CC(=C(C=C2)OCCCS)OC)N(C)C

Isomeric SMILES

CCC(CC1=CC=CC=C1)(C(=O)C2=CC(=C(C=C2)OCCCS)OC)N(C)C

InChI

InChI=1S/C23H31NO3S/c1-5-23(24(2)3,17-18-10-7-6-8-11-18)22(25)19-12-13-20(21(16-19)26-4)27-14-9-15-28/h6-8,10-13,16,28H,5,9,14-15,17H2,1-4H3