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

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-iodanyl-5-methylsulfanyl-phenyl)-N-methyl-propanamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-iodo-5-methylsulfanyl-phenyl)-N-methyl-propanamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[2-iodo-5-(methylthio)phenyl]-N-methylpropanamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-iodo-5-methylsulfanylphenyl)-N-methylpropanamide Traditional Name: N-homoveratryl-3-[2-iodo-5-(methylthio)phenyl]-N-methyl-propionamide Formula: C21H26INO3S MolecularWeight: 499.40551

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC(=C(C=C1)OC)OC)C(=O)CCC2=C(C=CC(=C2)SC)I

Isomeric SMILES

CN(CCC1=CC(=C(C=C1)OC)OC)C(=O)CCC2=C(C=CC(=C2)SC)I

InChI

InChI=1S/C21H26INO3S/c1-23(12-11-15-5-9-19(25-2)20(13-15)26-3)21(24)10-6-16-14-17(27-4)7-8-18(16)22/h5,7-9,13-14H,6,10-12H2,1-4H3