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

Systemtic Name: 6,7-dimethoxy-N-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide Openeye Name: 6,7-dimethoxy-N-(p-tolylsulfonyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide CAS Name: 6,7-dimethoxy-N-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide IUPAC Name: 6,7-dimethoxy-N-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide Traditional Name: 6,7-dimethoxy-N-tosyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide Formula: C19H22N2O4S2 MolecularWeight: 406.51898

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(=S)N2CCC3=CC(=C(C=C3C2)OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(=S)N2CCC3=CC(=C(C=C3C2)OC)OC

InChI

InChI=1S/C19H22N2O4S2/c1-13-4-6-16(7-5-13)27(22,23)20-19(26)21-9-8-14-10-17(24-2)18(25-3)11-15(14)12-21/h4-7,10-11H,8-9,12H2,1-3H3,(H,20,26)