N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2-[(5-ethanoyl-2-methoxy-phenyl)methylsulfanyl]ethanamide

Systemtic Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2-[(5-ethanoyl-2-methoxy-phenyl)methylsulfanyl]ethanamide Openeye Name: 2-[(5-acetyl-2-methoxy-phenyl)methylsulfanyl]-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]acetamide CAS Name: 2-[(5-acetyl-2-methoxyphenyl)methylthio]-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]acetamide IUPAC Name: 2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]acetamide Traditional Name: 2-[(5-acetyl-2-methoxy-benzyl)thio]-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]acetamide Formula: C23H28N2O3S MolecularWeight: 412.54502

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OC)CSCC(=O)NCCN2CCC3=CC=CC=C3C2

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OC)CSCC(=O)NCCN2CCC3=CC=CC=C3C2

InChI

InChI=1S/C23H28N2O3S/c1-17(26)19-7-8-22(28-2)21(13-19)15-29-16-23(27)24-10-12-25-11-9-18-5-3-4-6-20(18)14-25/h3-8,13H,9-12,14-16H2,1-2H3,(H,24,27)