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

Systemtic Name: N-(3,4-dimethoxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide Openeye Name: N-(3,4-dimethoxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide CAS Name: N-(3,4-dimethoxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide IUPAC Name: N-(3,4-dimethoxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide Traditional Name: N-(3,4-dimethoxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide Formula: C18H20N2O2S MolecularWeight: 328.4286

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N2O2S/c1-21-16-8-7-15(11-17(16)22-2)19-18(23)20-10-9-13-5-3-4-6-14(13)12-20/h3-8,11H,9-10,12H2,1-2H3,(H,19,23)