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

Systemtic Name: 3-methoxy-N-[2-(2-methylsulfanylethanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]propanamide Openeye Name: 3-methoxy-N-[2-(2-methylsulfanylacetyl)-3,4-dihydro-1H-isoquinolin-7-yl]propanamide CAS Name: 3-methoxy-N-[2-[2-(methylthio)-1-oxoethyl]-3,4-dihydro-1H-isoquinolin-7-yl]propanamide IUPAC Name: 3-methoxy-N-[2-(2-methylsulfanylacetyl)-3,4-dihydro-1H-isoquinolin-7-yl]propanamide Traditional Name: 3-methoxy-N-[2-[2-(methylthio)acetyl]-3,4-dihydro-1H-isoquinolin-7-yl]propionamide Formula: C16H22N2O3S MolecularWeight: 322.42248

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N2O3S/c1-21-8-6-15(19)17-14-4-3-12-5-7-18(10-13(12)9-14)16(20)11-22-2/h3-4,9H,5-8,10-11H2,1-2H3,(H,17,19)