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

Systemtic Name: 6,7-dimethoxy-1-[(2-methoxyphenoxy)methyl]-N-methyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide Openeye Name: 6,7-dimethoxy-1-[(2-methoxyphenoxy)methyl]-N-methyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide CAS Name: 6,7-dimethoxy-1-[(2-methoxyphenoxy)methyl]-N-methyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide IUPAC Name: 6,7-dimethoxy-1-[(2-methoxyphenoxy)methyl]-N-methyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide Traditional Name: 6,7-dimethoxy-1-[(2-methoxyphenoxy)methyl]-N-methyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide Formula: C21H26N2O4S MolecularWeight: 402.50714

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)N1CCC2=CC(=C(C=C2C1COC3=CC=CC=C3OC)OC)OC

Isomeric SMILES

CNC(=S)N1CCC2=CC(=C(C=C2C1COC3=CC=CC=C3OC)OC)OC

InChI

InChI=1S/C21H26N2O4S/c1-22-21(28)23-10-9-14-11-19(25-3)20(26-4)12-15(14)16(23)13-27-18-8-6-5-7-17(18)24-2/h5-8,11-12,16H,9-10,13H2,1-4H3,(H,22,28)