N-(3,5-dimethoxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide

Systemtic Name: N-(3,5-dimethoxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide Openeye Name: N-(3,5-dimethoxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide CAS Name: N-(3,5-dimethoxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide IUPAC Name: N-(3,5-dimethoxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide Traditional Name: N-(3,5-dimethoxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide Formula: C18H20N2O2S MolecularWeight: 328.4286

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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