N-[2-(3,4-dimethoxyphenyl)ethyl]-2-quinolin-2-ylsulfanyl-propanamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-quinolin-2-ylsulfanyl-propanamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-quinolylsulfanyl)propanamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-quinolinylthio)propanamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-quinolin-2-ylsulfanylpropanamide Traditional Name: N-homoveratryl-2-(2-quinolylthio)propionamide Formula: C22H24N2O3S MolecularWeight: 396.50256

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCC1=CC(=C(C=C1)OC)OC)SC2=NC3=CC=CC=C3C=C2

Isomeric SMILES

CC(C(=O)NCCC1=CC(=C(C=C1)OC)OC)SC2=NC3=CC=CC=C3C=C2

InChI

InChI=1S/C22H24N2O3S/c1-15(28-21-11-9-17-6-4-5-7-18(17)24-21)22(25)23-13-12-16-8-10-19(26-2)20(14-16)27-3/h4-11,14-15H,12-13H2,1-3H3,(H,23,25)