4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethylsulfanyl]aniline

Systemtic Name: 4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethylsulfanyl]aniline Openeye Name: 4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethylsulfanyl]aniline CAS Name: 4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethylthio]aniline IUPAC Name: 4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethylsulfanyl]aniline Traditional Name: [4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethylthio]phenyl]amine Formula: C19H24N2O2S MolecularWeight: 344.47106

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)CCSC3=CC=C(C=C3)N)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)CCSC3=CC=C(C=C3)N)OC

InChI

InChI=1S/C19H24N2O2S/c1-22-18-11-14-7-8-21(13-15(14)12-19(18)23-2)9-10-24-17-5-3-16(20)4-6-17/h3-6,11-12H,7-10,13,20H2,1-2H3