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

Systemtic Name: 1-[(3,5-dimethylphenoxy)methyl]-6,7-dimethoxy-N-(2-methylphenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide Openeye Name: 1-[(3,5-dimethylphenoxy)methyl]-6,7-dimethoxy-N-(o-tolyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide CAS Name: 1-[(3,5-dimethylphenoxy)methyl]-6,7-dimethoxy-N-(2-methylphenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide IUPAC Name: 1-[(3,5-dimethylphenoxy)methyl]-6,7-dimethoxy-N-(2-methylphenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide Traditional Name: 1-[(3,5-dimethylphenoxy)methyl]-6,7-dimethoxy-N-(o-tolyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide Formula: C28H32N2O3S MolecularWeight: 476.63028

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=S)N2CCC3=CC(=C(C=C3C2COC4=CC(=CC(=C4)C)C)OC)OC

Isomeric SMILES

CC1=CC=CC=C1NC(=S)N2CCC3=CC(=C(C=C3C2COC4=CC(=CC(=C4)C)C)OC)OC

InChI

InChI=1S/C28H32N2O3S/c1-18-12-19(2)14-22(13-18)33-17-25-23-16-27(32-5)26(31-4)15-21(23)10-11-30(25)28(34)29-24-9-7-6-8-20(24)3/h6-9,12-16,25H,10-11,17H2,1-5H3,(H,29,34)