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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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