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

Systemtic Name: 6,7-dimethoxy-N-(4-methylphenyl)-1-[(4-nitrophenoxy)methyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide Openeye Name: 6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-N-(p-tolyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide CAS Name: 6,7-dimethoxy-N-(4-methylphenyl)-1-[(4-nitrophenoxy)methyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide IUPAC Name: 6,7-dimethoxy-N-(4-methylphenyl)-1-[(4-nitrophenoxy)methyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide Traditional Name: 6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-N-(p-tolyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide Formula: C26H27N3O5S MolecularWeight: 493.57468

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=S)N2CCC3=CC(=C(C=C3C2COC4=CC=C(C=C4)[N+](=O)[O-])OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)NC(=S)N2CCC3=CC(=C(C=C3C2COC4=CC=C(C=C4)[N+](=O)[O-])OC)OC

InChI

InChI=1S/C26H27N3O5S/c1-17-4-6-19(7-5-17)27-26(35)28-13-12-18-14-24(32-2)25(33-3)15-22(18)23(28)16-34-21-10-8-20(9-11-21)29(30)31/h4-11,14-15,23H,12-13,16H2,1-3H3,(H,27,35)