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

Systemtic Name: 6,7-dimethoxy-1-[(4-methoxyphenoxy)methyl]-N-(4-methylphenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide Openeye Name: 6,7-dimethoxy-1-[(4-methoxyphenoxy)methyl]-N-(p-tolyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide CAS Name: 6,7-dimethoxy-1-[(4-methoxyphenoxy)methyl]-N-(4-methylphenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide IUPAC Name: 6,7-dimethoxy-1-[(4-methoxyphenoxy)methyl]-N-(4-methylphenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide Traditional Name: 6,7-dimethoxy-1-[(4-methoxyphenoxy)methyl]-N-(p-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=C(C=C1)NC(=S)N2CCC3=CC(=C(C=C3C2COC4=CC=C(C=C4)OC)OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)NC(=S)N2CCC3=CC(=C(C=C3C2COC4=CC=C(C=C4)OC)OC)OC

InChI

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