N-(2,6-dimethylphenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide

Systemtic Name: N-(2,6-dimethylphenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide Openeye Name: N-(2,6-dimethylphenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide CAS Name: N-(2,6-dimethylphenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide IUPAC Name: N-(2,6-dimethylphenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide Traditional Name: N-(2,6-dimethylphenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide Formula: C20H24N2O2S MolecularWeight: 356.48176

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=S)N2CCC3=CC(=C(C=C3C2)OC)OC

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=S)N2CCC3=CC(=C(C=C3C2)OC)OC

InChI

InChI=1S/C20H24N2O2S/c1-13-6-5-7-14(2)19(13)21-20(25)22-9-8-15-10-17(23-3)18(24-4)11-16(15)12-22/h5-7,10-11H,8-9,12H2,1-4H3,(H,21,25)