6,7-dimethoxy-N-(2-phenylsulfanylethyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide

Systemtic Name: 6,7-dimethoxy-N-(2-phenylsulfanylethyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide Openeye Name: 6,7-dimethoxy-N-(2-phenylsulfanylethyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide CAS Name: 6,7-dimethoxy-N-[2-(phenylthio)ethyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide IUPAC Name: 6,7-dimethoxy-N-(2-phenylsulfanylethyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide Traditional Name: 6,7-dimethoxy-N-[2-(phenylthio)ethyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide Formula: C20H24N2O2S2 MolecularWeight: 388.54676

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)C(=S)NCCSC3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)C(=S)NCCSC3=CC=CC=C3)OC

InChI

InChI=1S/C20H24N2O2S2/c1-23-18-12-15-8-10-22(14-16(15)13-19(18)24-2)20(25)21-9-11-26-17-6-4-3-5-7-17/h3-7,12-13H,8-11,14H2,1-2H3,(H,21,25)