5-bromanyl-2-chloranyl-N-[4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-1,3-thiazol-2-yl]benzamide

Systemtic Name: 5-bromanyl-2-chloranyl-N-[4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-1,3-thiazol-2-yl]benzamide Openeye Name: 5-bromo-2-chloro-N-[4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]thiazol-2-yl]benzamide CAS Name: 5-bromo-2-chloro-N-[4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-2-thiazolyl]benzamide IUPAC Name: 5-bromo-2-chloro-N-[4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-1,3-thiazol-2-yl]benzamide Traditional Name: 5-bromo-2-chloro-N-[4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]thiazol-2-yl]benzamide Formula: C22H21BrClN3O3S MolecularWeight: 522.84244

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)CC3=CSC(=N3)NC(=O)C4=C(C=CC(=C4)Br)Cl)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)CC3=CSC(=N3)NC(=O)C4=C(C=CC(=C4)Br)Cl)OC

InChI

InChI=1S/C22H21BrClN3O3S/c1-29-19-7-13-5-6-27(10-14(13)8-20(19)30-2)11-16-12-31-22(25-16)26-21(28)17-9-15(23)3-4-18(17)24/h3-4,7-9,12H,5-6,10-11H2,1-2H3,(H,25,26,28)