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

Systemtic Name: 1-[(3,5-dimethylphenoxy)methyl]-N-(2,3-dimethylphenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide Openeye Name: 1-[(3,5-dimethylphenoxy)methyl]-N-(2,3-dimethylphenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide CAS Name: 1-[(3,5-dimethylphenoxy)methyl]-N-(2,3-dimethylphenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide IUPAC Name: 1-[(3,5-dimethylphenoxy)methyl]-N-(2,3-dimethylphenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide Traditional Name: 1-[(3,5-dimethylphenoxy)methyl]-N-(2,3-dimethylphenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide Formula: C29H34N2O3S MolecularWeight: 490.65686

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H34N2O3S/c1-18-12-19(2)14-23(13-18)34-17-26-24-16-28(33-6)27(32-5)15-22(24)10-11-31(26)29(35)30-25-9-7-8-20(3)21(25)4/h7-9,12-16,26H,10-11,17H2,1-6H3,(H,30,35)