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

Systemtic Name: 6,7-dimethoxy-1-[(4-methoxyphenoxy)methyl]-N-(3-methoxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide Openeye Name: 6,7-dimethoxy-1-[(4-methoxyphenoxy)methyl]-N-(3-methoxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide CAS Name: 6,7-dimethoxy-1-[(4-methoxyphenoxy)methyl]-N-(3-methoxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide IUPAC Name: 6,7-dimethoxy-1-[(4-methoxyphenoxy)methyl]-N-(3-methoxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide Traditional Name: 6,7-dimethoxy-1-[(4-methoxyphenoxy)methyl]-N-(3-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=C4)OC)OC)OC

Isomeric SMILES

COC1=CC=C(C=C1)OCC2C3=CC(=C(C=C3CCN2C(=S)NC4=CC(=CC=C4)OC)OC)OC

InChI

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