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

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

Systemtic Name:1-[(3,5-dimethylphenoxy)methyl]-N-(2,5-dimethylphenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide
Openeye Name:1-[(3,5-dimethylphenoxy)methyl]-N-(2,5-dimethylphenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide
CAS Name:1-[(3,5-dimethylphenoxy)methyl]-N-(2,5-dimethylphenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide
IUPAC Name:1-[(3,5-dimethylphenoxy)methyl]-N-(2,5-dimethylphenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide
Traditional Name:1-[(3,5-dimethylphenoxy)methyl]-N-(2,5-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=CC(=C(C=C1)C)NC(=S)N2CCC3=CC(=C(C=C3C2COC4=CC(=CC(=C4)C)C)OC)OC


Isomeric SMILES

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


InChI

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


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