2-(8-chloranylnaphthalen-1-yl)sulfanyl-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone

Systemtic Name: 2-(8-chloranylnaphthalen-1-yl)sulfanyl-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone Openeye Name: 2-[(8-chloro-1-naphthyl)sulfanyl]-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone CAS Name: 2-[(8-chloro-1-naphthalenyl)thio]-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone IUPAC Name: 2-(8-chloronaphthalen-1-yl)sulfanyl-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone Traditional Name: 2-[(8-chloro-1-naphthyl)thio]-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone Formula: C23H22ClNO3S MolecularWeight: 427.94368

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)C(=O)CSC3=CC=CC4=C3C(=CC=C4)Cl)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)C(=O)CSC3=CC=CC4=C3C(=CC=C4)Cl)OC

InChI

InChI=1S/C23H22ClNO3S/c1-27-19-11-16-9-10-25(13-17(16)12-20(19)28-2)22(26)14-29-21-8-4-6-15-5-3-7-18(24)23(15)21/h3-8,11-12H,9-10,13-14H2,1-2H3