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

Systemtic Name: 6,7-dimethoxy-N-(3-methylphenyl)-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide Openeye Name: 6,7-dimethoxy-N-(m-tolyl)-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide CAS Name: 6,7-dimethoxy-N-(3-methylphenyl)-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide IUPAC Name: 6,7-dimethoxy-N-(3-methylphenyl)-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide Traditional Name: 6,7-dimethoxy-N-(m-tolyl)-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide Formula: C25H26N2O2S MolecularWeight: 418.55114

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=S)N2CCC3=CC(=C(C=C3C2C4=CC=CC=C4)OC)OC

Isomeric SMILES

CC1=CC(=CC=C1)NC(=S)N2CCC3=CC(=C(C=C3C2C4=CC=CC=C4)OC)OC

InChI

InChI=1S/C25H26N2O2S/c1-17-8-7-11-20(14-17)26-25(30)27-13-12-19-15-22(28-2)23(29-3)16-21(19)24(27)18-9-5-4-6-10-18/h4-11,14-16,24H,12-13H2,1-3H3,(H,26,30)