(2S)-N-[2-(3,4-diethoxyphenyl)ethyl]-2-(4-methylphenyl)sulfanyl-propanamide

Systemtic Name: (2S)-N-[2-(3,4-diethoxyphenyl)ethyl]-2-(4-methylphenyl)sulfanyl-propanamide Openeye Name: (2S)-N-[2-(3,4-diethoxyphenyl)ethyl]-2-(p-tolylsulfanyl)propanamide CAS Name: (2S)-N-[2-(3,4-diethoxyphenyl)ethyl]-2-[(4-methylphenyl)thio]propanamide IUPAC Name: (2S)-N-[2-(3,4-diethoxyphenyl)ethyl]-2-(4-methylphenyl)sulfanylpropanamide Traditional Name: (2S)-N-[2-(3,4-diethoxyphenyl)ethyl]-2-(p-tolylthio)propionamide Formula: C22H29NO3S MolecularWeight: 387.53556

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CCNC(=O)C(C)SC2=CC=C(C=C2)C)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CCNC(=O)[C@H](C)SC2=CC=C(C=C2)C)OCC

InChI

InChI=1S/C22H29NO3S/c1-5-25-20-12-9-18(15-21(20)26-6-2)13-14-23-22(24)17(4)27-19-10-7-16(3)8-11-19/h7-12,15,17H,5-6,13-14H2,1-4H3,(H,23,24)/t17-/m0/s1