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

Systemtic Name: 6,7-dimethoxy-N-(2-methylphenyl)-1-[(4-propan-2-ylphenoxy)methyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide Openeye Name: 1-[(4-isopropylphenoxy)methyl]-6,7-dimethoxy-N-(o-tolyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide CAS Name: 6,7-dimethoxy-N-(2-methylphenyl)-1-[(4-propan-2-ylphenoxy)methyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide IUPAC Name: 6,7-dimethoxy-N-(2-methylphenyl)-1-[(4-propan-2-ylphenoxy)methyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide Traditional Name: 1-[(4-isopropylphenoxy)methyl]-6,7-dimethoxy-N-(o-tolyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide Formula: C29H34N2O3S MolecularWeight: 490.65686

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H34N2O3S/c1-19(2)21-10-12-23(13-11-21)34-18-26-24-17-28(33-5)27(32-4)16-22(24)14-15-31(26)29(35)30-25-9-7-6-8-20(25)3/h6-13,16-17,19,26H,14-15,18H2,1-5H3,(H,30,35)