N-(3,5-dimethylphenyl)-6,7-dimethoxy-1-[(2-methoxyphenoxy)methyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide

Systemtic Name: N-(3,5-dimethylphenyl)-6,7-dimethoxy-1-[(2-methoxyphenoxy)methyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide Openeye Name: N-(3,5-dimethylphenyl)-6,7-dimethoxy-1-[(2-methoxyphenoxy)methyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide CAS Name: N-(3,5-dimethylphenyl)-6,7-dimethoxy-1-[(2-methoxyphenoxy)methyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide IUPAC Name: N-(3,5-dimethylphenyl)-6,7-dimethoxy-1-[(2-methoxyphenoxy)methyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide Traditional Name: N-(3,5-dimethylphenyl)-6,7-dimethoxy-1-[(2-methoxyphenoxy)methyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide Formula: C28H32N2O4S MolecularWeight: 492.62968

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=S)N2CCC3=CC(=C(C=C3C2COC4=CC=CC=C4OC)OC)OC)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=S)N2CCC3=CC(=C(C=C3C2COC4=CC=CC=C4OC)OC)OC)C

InChI

InChI=1S/C28H32N2O4S/c1-18-12-19(2)14-21(13-18)29-28(35)30-11-10-20-15-26(32-4)27(33-5)16-22(20)23(30)17-34-25-9-7-6-8-24(25)31-3/h6-9,12-16,23H,10-11,17H2,1-5H3,(H,29,35)