6,7-dimethoxy-1-phenyl-N-prop-2-enyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide

Systemtic Name: 6,7-dimethoxy-1-phenyl-N-prop-2-enyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide Openeye Name: N-allyl-6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide CAS Name: 6,7-dimethoxy-1-phenyl-N-prop-2-enyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide IUPAC Name: 6,7-dimethoxy-1-phenyl-N-prop-2-enyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide Traditional Name: N-allyl-6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide Formula: C21H24N2O2S MolecularWeight: 368.49246

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(N(CCC2=C1)C(=S)NCC=C)C3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C2C(N(CCC2=C1)C(=S)NCC=C)C3=CC=CC=C3)OC

InChI

InChI=1S/C21H24N2O2S/c1-4-11-22-21(26)23-12-10-16-13-18(24-2)19(25-3)14-17(16)20(23)15-8-6-5-7-9-15/h4-9,13-14,20H,1,10-12H2,2-3H3,(H,22,26)