N-[4-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-1,3-thiazol-2-yl]-3,5-dimethoxy-benzamide

Systemtic Name: N-[4-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-1,3-thiazol-2-yl]-3,5-dimethoxy-benzamide Openeye Name: N-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)thiazol-2-yl]-3,5-dimethoxy-benzamide CAS Name: N-[4-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-2-thiazolyl]-3,5-dimethoxybenzamide IUPAC Name: N-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1,3-thiazol-2-yl]-3,5-dimethoxybenzamide Traditional Name: N-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)thiazol-2-yl]-3,5-dimethoxy-benzamide Formula: C22H21N3O4S MolecularWeight: 423.48484

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C(=O)NC2=NC(=CS2)C(=O)N3CCC4=CC=CC=C4C3)OC

Isomeric SMILES

COC1=CC(=CC(=C1)C(=O)NC2=NC(=CS2)C(=O)N3CCC4=CC=CC=C4C3)OC

InChI

InChI=1S/C22H21N3O4S/c1-28-17-9-16(10-18(11-17)29-2)20(26)24-22-23-19(13-30-22)21(27)25-8-7-14-5-3-4-6-15(14)12-25/h3-6,9-11,13H,7-8,12H2,1-2H3,(H,23,24,26)