1-(3,4-dimethoxyphenyl)-6,7-dimethoxy-N-phenyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide

Systemtic Name: 1-(3,4-dimethoxyphenyl)-6,7-dimethoxy-N-phenyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide Openeye Name: 1-(3,4-dimethoxyphenyl)-6,7-dimethoxy-N-phenyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide CAS Name: 1-(3,4-dimethoxyphenyl)-6,7-dimethoxy-N-phenyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide IUPAC Name: 1-(3,4-dimethoxyphenyl)-6,7-dimethoxy-N-phenyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide Traditional Name: 1-(3,4-dimethoxyphenyl)-6,7-dimethoxy-N-phenyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide Formula: C26H28N2O4S MolecularWeight: 464.57652

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2C3=CC(=C(C=C3CCN2C(=S)NC4=CC=CC=C4)OC)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2C3=CC(=C(C=C3CCN2C(=S)NC4=CC=CC=C4)OC)OC)OC

InChI

InChI=1S/C26H28N2O4S/c1-29-21-11-10-18(15-22(21)30-2)25-20-16-24(32-4)23(31-3)14-17(20)12-13-28(25)26(33)27-19-8-6-5-7-9-19/h5-11,14-16,25H,12-13H2,1-4H3,(H,27,33)