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

Systemtic Name: 6,7-dimethoxy-N-(2-methoxyphenyl)-1-[(4-propan-2-ylphenoxy)methyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide Openeye Name: 1-[(4-isopropylphenoxy)methyl]-6,7-dimethoxy-N-(2-methoxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide CAS Name: 6,7-dimethoxy-N-(2-methoxyphenyl)-1-[(4-propan-2-ylphenoxy)methyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide IUPAC Name: 6,7-dimethoxy-N-(2-methoxyphenyl)-1-[(4-propan-2-ylphenoxy)methyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide Traditional Name: 1-[(4-isopropylphenoxy)methyl]-6,7-dimethoxy-N-(2-methoxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide Formula: C29H34N2O4S MolecularWeight: 506.65626

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)OCC2C3=CC(=C(C=C3CCN2C(=S)NC4=CC=CC=C4OC)OC)OC

Isomeric SMILES

CC(C)C1=CC=C(C=C1)OCC2C3=CC(=C(C=C3CCN2C(=S)NC4=CC=CC=C4OC)OC)OC

InChI

InChI=1S/C29H34N2O4S/c1-19(2)20-10-12-22(13-11-20)35-18-25-23-17-28(34-5)27(33-4)16-21(23)14-15-31(25)29(36)30-24-8-6-7-9-26(24)32-3/h6-13,16-17,19,25H,14-15,18H2,1-5H3,(H,30,36)