N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-iodanyl-5-methylsulfanyl-phenyl)-N-methyl-propan-1-amine

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-iodanyl-5-methylsulfanyl-phenyl)-N-methyl-propan-1-amine Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-iodo-5-methylsulfanyl-phenyl)-N-methyl-propan-1-amine CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[2-iodo-5-(methylthio)phenyl]-N-methyl-1-propanamine IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-iodo-5-methylsulfanylphenyl)-N-methylpropan-1-amine Traditional Name: homoveratryl-[3-[2-iodo-5-(methylthio)phenyl]propyl]-methyl-amine Formula: C21H28INO2S MolecularWeight: 485.42199

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCC1=C(C=CC(=C1)SC)I)CCC2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CN(CCCC1=C(C=CC(=C1)SC)I)CCC2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C21H28INO2S/c1-23(12-5-6-17-15-18(26-4)8-9-19(17)22)13-11-16-7-10-20(24-2)21(14-16)25-3/h7-10,14-15H,5-6,11-13H2,1-4H3