1-[(3,5-dimethylphenoxy)methyl]-N-(2-ethyl-6-methyl-phenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide

Systemtic Name: 1-[(3,5-dimethylphenoxy)methyl]-N-(2-ethyl-6-methyl-phenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide Openeye Name: 1-[(3,5-dimethylphenoxy)methyl]-N-(2-ethyl-6-methyl-phenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide CAS Name: 1-[(3,5-dimethylphenoxy)methyl]-N-(2-ethyl-6-methylphenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide IUPAC Name: 1-[(3,5-dimethylphenoxy)methyl]-N-(2-ethyl-6-methylphenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide Traditional Name: 1-[(3,5-dimethylphenoxy)methyl]-N-(2-ethyl-6-methyl-phenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide Formula: C30H36N2O3S MolecularWeight: 504.68344

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=S)N2CCC3=CC(=C(C=C3C2COC4=CC(=CC(=C4)C)C)OC)OC)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=S)N2CCC3=CC(=C(C=C3C2COC4=CC(=CC(=C4)C)C)OC)OC)C

InChI

InChI=1S/C30H36N2O3S/c1-7-22-10-8-9-21(4)29(22)31-30(36)32-12-11-23-16-27(33-5)28(34-6)17-25(23)26(32)18-35-24-14-19(2)13-20(3)15-24/h8-10,13-17,26H,7,11-12,18H2,1-6H3,(H,31,36)