N-(2-ethyl-6-methyl-phenyl)-6,7-dimethoxy-1-[(2-methoxyphenoxy)methyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide

Systemtic Name: N-(2-ethyl-6-methyl-phenyl)-6,7-dimethoxy-1-[(2-methoxyphenoxy)methyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide Openeye Name: N-(2-ethyl-6-methyl-phenyl)-6,7-dimethoxy-1-[(2-methoxyphenoxy)methyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide CAS Name: N-(2-ethyl-6-methylphenyl)-6,7-dimethoxy-1-[(2-methoxyphenoxy)methyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide IUPAC Name: N-(2-ethyl-6-methylphenyl)-6,7-dimethoxy-1-[(2-methoxyphenoxy)methyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide Traditional Name: N-(2-ethyl-6-methyl-phenyl)-6,7-dimethoxy-1-[(2-methoxyphenoxy)methyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide Formula: C29H34N2O4S MolecularWeight: 506.65626

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=S)N2CCC3=CC(=C(C=C3C2COC4=CC=CC=C4OC)OC)OC)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=S)N2CCC3=CC(=C(C=C3C2COC4=CC=CC=C4OC)OC)OC)C

InChI

InChI=1S/C29H34N2O4S/c1-6-20-11-9-10-19(2)28(20)30-29(36)31-15-14-21-16-26(33-4)27(34-5)17-22(21)23(31)18-35-25-13-8-7-12-24(25)32-3/h7-13,16-17,23H,6,14-15,18H2,1-5H3,(H,30,36)