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

Systemtic Name: 6,7-dimethoxy-1-[(4-methoxyphenoxy)methyl]-N-(2-methoxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide Openeye Name: 6,7-dimethoxy-1-[(4-methoxyphenoxy)methyl]-N-(2-methoxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide CAS Name: 6,7-dimethoxy-1-[(4-methoxyphenoxy)methyl]-N-(2-methoxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide IUPAC Name: 6,7-dimethoxy-1-[(4-methoxyphenoxy)methyl]-N-(2-methoxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide Traditional Name: 6,7-dimethoxy-1-[(4-methoxyphenoxy)methyl]-N-(2-methoxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide Formula: C27H30N2O5S MolecularWeight: 494.6025

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OCC2C3=CC(=C(C=C3CCN2C(=S)NC4=CC=CC=C4OC)OC)OC

Isomeric SMILES

COC1=CC=C(C=C1)OCC2C3=CC(=C(C=C3CCN2C(=S)NC4=CC=CC=C4OC)OC)OC

InChI

InChI=1S/C27H30N2O5S/c1-30-19-9-11-20(12-10-19)34-17-23-21-16-26(33-4)25(32-3)15-18(21)13-14-29(23)27(35)28-22-7-5-6-8-24(22)31-2/h5-12,15-16,23H,13-14,17H2,1-4H3,(H,28,35)