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

Systemtic Name: 6,7-dimethoxy-1-[(2-methoxyphenoxy)methyl]-N-(2-methylphenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide Openeye Name: 6,7-dimethoxy-1-[(2-methoxyphenoxy)methyl]-N-(o-tolyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide CAS Name: 6,7-dimethoxy-1-[(2-methoxyphenoxy)methyl]-N-(2-methylphenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide IUPAC Name: 6,7-dimethoxy-1-[(2-methoxyphenoxy)methyl]-N-(2-methylphenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide Traditional Name: 6,7-dimethoxy-1-[(2-methoxyphenoxy)methyl]-N-(o-tolyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide Formula: C27H30N2O4S MolecularWeight: 478.6031

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=S)N2CCC3=CC(=C(C=C3C2COC4=CC=CC=C4OC)OC)OC

Isomeric SMILES

CC1=CC=CC=C1NC(=S)N2CCC3=CC(=C(C=C3C2COC4=CC=CC=C4OC)OC)OC

InChI

InChI=1S/C27H30N2O4S/c1-18-9-5-6-10-21(18)28-27(34)29-14-13-19-15-25(31-3)26(32-4)16-20(19)22(29)17-33-24-12-8-7-11-23(24)30-2/h5-12,15-16,22H,13-14,17H2,1-4H3,(H,28,34)