3-methoxy-N-[2-[(3-methylsulfanylphenyl)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]propanamide

Systemtic Name: 3-methoxy-N-[2-[(3-methylsulfanylphenyl)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]propanamide Openeye Name: 3-methoxy-N-[2-[(3-methylsulfanylphenyl)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]propanamide CAS Name: 3-methoxy-N-[2-[[3-(methylthio)phenyl]methyl]-3,4-dihydro-1H-isoquinolin-7-yl]propanamide IUPAC Name: 3-methoxy-N-[2-[(3-methylsulfanylphenyl)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]propanamide Traditional Name: 3-methoxy-N-[2-[3-(methylthio)benzyl]-3,4-dihydro-1H-isoquinolin-7-yl]propionamide Formula: C21H26N2O2S MolecularWeight: 370.50834

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCC(=O)NC1=CC2=C(CCN(C2)CC3=CC(=CC=C3)SC)C=C1

Isomeric SMILES

COCCC(=O)NC1=CC2=C(CCN(C2)CC3=CC(=CC=C3)SC)C=C1

InChI

InChI=1S/C21H26N2O2S/c1-25-11-9-21(24)22-19-7-6-17-8-10-23(15-18(17)13-19)14-16-4-3-5-20(12-16)26-2/h3-7,12-13H,8-11,14-15H2,1-2H3,(H,22,24)