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

Systemtic Name: 3-methoxy-N-[2-(3-methylsulfanylpropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]propanamide Openeye Name: 3-methoxy-N-[2-(3-methylsulfanylpropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]propanamide CAS Name: 3-methoxy-N-[2-[3-(methylthio)-1-oxopropyl]-3,4-dihydro-1H-isoquinolin-7-yl]propanamide IUPAC Name: 3-methoxy-N-[2-(3-methylsulfanylpropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]propanamide Traditional Name: 3-methoxy-N-[2-[3-(methylthio)propanoyl]-3,4-dihydro-1H-isoquinolin-7-yl]propionamide Formula: C17H24N2O3S MolecularWeight: 336.44906

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCC(=O)NC1=CC2=C(CCN(C2)C(=O)CCSC)C=C1

Isomeric SMILES

COCCC(=O)NC1=CC2=C(CCN(C2)C(=O)CCSC)C=C1

InChI

InChI=1S/C17H24N2O3S/c1-22-9-6-16(20)18-15-4-3-13-5-8-19(12-14(13)11-15)17(21)7-10-23-2/h3-4,11H,5-10,12H2,1-2H3,(H,18,20)