N-[2-(cyanomethylsulfanyl)phenyl]-2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanamide

Systemtic Name: N-[2-(cyanomethylsulfanyl)phenyl]-2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanamide Openeye Name: N-[2-(cyanomethylsulfanyl)phenyl]-2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetamide CAS Name: N-[2-(cyanomethylthio)phenyl]-2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetamide IUPAC Name: N-[2-(cyanomethylsulfanyl)phenyl]-2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetamide Traditional Name: N-[2-(cyanomethylthio)phenyl]-2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetamide Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)CC(=O)NC3=CC=CC=C3SCC#N)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)CC(=O)NC3=CC=CC=C3SCC#N)OC

InChI

InChI=1S/C21H23N3O3S/c1-26-18-11-15-7-9-24(13-16(15)12-19(18)27-2)14-21(25)23-17-5-3-4-6-20(17)28-10-8-22/h3-6,11-12H,7,9-10,13-14H2,1-2H3,(H,23,25)