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

Systemtic Name: 2-methoxy-N-[2-(2-methylsulfanylethanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzamide Openeye Name: 2-methoxy-N-[2-(2-methylsulfanylacetyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzamide CAS Name: 2-methoxy-N-[2-[2-(methylthio)-1-oxoethyl]-3,4-dihydro-1H-isoquinolin-7-yl]benzamide IUPAC Name: 2-methoxy-N-[2-(2-methylsulfanylacetyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzamide Traditional Name: 2-methoxy-N-[2-[2-(methylthio)acetyl]-3,4-dihydro-1H-isoquinolin-7-yl]benzamide Formula: C20H22N2O3S MolecularWeight: 370.46528

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)NC2=CC3=C(CCN(C3)C(=O)CSC)C=C2

Isomeric SMILES

COC1=CC=CC=C1C(=O)NC2=CC3=C(CCN(C3)C(=O)CSC)C=C2

InChI

InChI=1S/C20H22N2O3S/c1-25-18-6-4-3-5-17(18)20(24)21-16-8-7-14-9-10-22(12-15(14)11-16)19(23)13-26-2/h3-8,11H,9-10,12-13H2,1-2H3,(H,21,24)