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

Systemtic Name: 6,7-dimethoxy-N-(4-propan-2-ylphenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide Openeye Name: N-(4-isopropylphenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide CAS Name: 6,7-dimethoxy-N-(4-propan-2-ylphenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide IUPAC Name: 6,7-dimethoxy-N-(4-propan-2-ylphenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide Traditional Name: 6,7-dimethoxy-N-p-cumenyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide Formula: C21H26N2O2S MolecularWeight: 370.50834

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O2S/c1-14(2)15-5-7-18(8-6-15)22-21(26)23-10-9-16-11-19(24-3)20(25-4)12-17(16)13-23/h5-8,11-12,14H,9-10,13H2,1-4H3,(H,22,26)