N-[2-(3,4-dimethoxyphenyl)ethyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide Traditional Name: N-homoveratryl-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide Formula: C22H28N2O4S MolecularWeight: 416.53372

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O4S/c1-25-18-6-5-15(11-19(18)26-2)7-9-23-22(29)24-10-8-16-12-20(27-3)21(28-4)13-17(16)14-24/h5-6,11-13H,7-10,14H2,1-4H3,(H,23,29)