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

Systemtic Name: 6,7-dimethoxy-1-(4-methoxyphenyl)-N-phenyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide Openeye Name: 6,7-dimethoxy-1-(4-methoxyphenyl)-N-phenyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide CAS Name: 6,7-dimethoxy-1-(4-methoxyphenyl)-N-phenyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide IUPAC Name: 6,7-dimethoxy-1-(4-methoxyphenyl)-N-phenyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide Traditional Name: 6,7-dimethoxy-1-(4-methoxyphenyl)-N-phenyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide Formula: C25H26N2O3S MolecularWeight: 434.55054

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H26N2O3S/c1-28-20-11-9-17(10-12-20)24-21-16-23(30-3)22(29-2)15-18(21)13-14-27(24)25(31)26-19-7-5-4-6-8-19/h4-12,15-16,24H,13-14H2,1-3H3,(H,26,31)