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

Systemtic Name: 1-[(3,5-dimethylphenoxy)methyl]-N-ethyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide Openeye Name: 1-[(3,5-dimethylphenoxy)methyl]-N-ethyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide CAS Name: 1-[(3,5-dimethylphenoxy)methyl]-N-ethyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide IUPAC Name: 1-[(3,5-dimethylphenoxy)methyl]-N-ethyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide Traditional Name: 1-[(3,5-dimethylphenoxy)methyl]-N-ethyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide Formula: C23H30N2O3S MolecularWeight: 414.5609

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)N1CCC2=CC(=C(C=C2C1COC3=CC(=CC(=C3)C)C)OC)OC

Isomeric SMILES

CCNC(=S)N1CCC2=CC(=C(C=C2C1COC3=CC(=CC(=C3)C)C)OC)OC

InChI

InChI=1S/C23H30N2O3S/c1-6-24-23(29)25-8-7-17-12-21(26-4)22(27-5)13-19(17)20(25)14-28-18-10-15(2)9-16(3)11-18/h9-13,20H,6-8,14H2,1-5H3,(H,24,29)