N-[2-(3,4-dimethoxyphenyl)ethyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide Traditional Name: N-homoveratryl-3,4-dihydro-1H-isoquinoline-2-carbothioamide Formula: C20H24N2O2S MolecularWeight: 356.48176

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=S)N2CCC3=CC=CC=C3C2)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=S)N2CCC3=CC=CC=C3C2)OC

InChI

InChI=1S/C20H24N2O2S/c1-23-18-8-7-15(13-19(18)24-2)9-11-21-20(25)22-12-10-16-5-3-4-6-17(16)14-22/h3-8,13H,9-12,14H2,1-2H3,(H,21,25)