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

Systemtic Name: 6,7-dimethoxy-N-(3-methoxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide Openeye Name: 6,7-dimethoxy-N-(3-methoxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide CAS Name: 6,7-dimethoxy-N-(3-methoxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide IUPAC Name: 6,7-dimethoxy-N-(3-methoxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide Traditional Name: 6,7-dimethoxy-N-(3-methoxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide Formula: C19H22N2O3S MolecularWeight: 358.45458

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N2O3S/c1-22-16-6-4-5-15(11-16)20-19(25)21-8-7-13-9-17(23-2)18(24-3)10-14(13)12-21/h4-6,9-11H,7-8,12H2,1-3H3,(H,20,25)