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

Systemtic Name: (1R)-6,7-dimethoxy-1-[(2-methoxyphenoxy)methyl]-N-(4-nitrophenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide Openeye Name: (1R)-6,7-dimethoxy-1-[(2-methoxyphenoxy)methyl]-N-(4-nitrophenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide CAS Name: (1R)-6,7-dimethoxy-1-[(2-methoxyphenoxy)methyl]-N-(4-nitrophenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide IUPAC Name: (1R)-6,7-dimethoxy-1-[(2-methoxyphenoxy)methyl]-N-(4-nitrophenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide Traditional Name: (1R)-6,7-dimethoxy-1-[(2-methoxyphenoxy)methyl]-N-(4-nitrophenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide Formula: C26H27N3O6S MolecularWeight: 509.57408

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1OCC2C3=CC(=C(C=C3CCN2C(=S)NC4=CC=C(C=C4)[N+](=O)[O-])OC)OC

Isomeric SMILES

COC1=CC=CC=C1OC[C@H]2C3=CC(=C(C=C3CCN2C(=S)NC4=CC=C(C=C4)[N+](=O)[O-])OC)OC

InChI

InChI=1S/C26H27N3O6S/c1-32-22-6-4-5-7-23(22)35-16-21-20-15-25(34-3)24(33-2)14-17(20)12-13-28(21)26(36)27-18-8-10-19(11-9-18)29(30)31/h4-11,14-15,21H,12-13,16H2,1-3H3,(H,27,36)/t21-/m0/s1