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

Systemtic Name: N-[4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-1,3-thiazol-2-yl]-2-iodanyl-benzamide Openeye Name: N-[4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]thiazol-2-yl]-2-iodo-benzamide CAS Name: N-[4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-2-thiazolyl]-2-iodobenzamide IUPAC Name: N-[4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-1,3-thiazol-2-yl]-2-iodobenzamide Traditional Name: N-[4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]thiazol-2-yl]-2-iodo-benzamide Formula: C22H22IN3O3S MolecularWeight: 535.39785

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)CC3=CSC(=N3)NC(=O)C4=CC=CC=C4I)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)CC3=CSC(=N3)NC(=O)C4=CC=CC=C4I)OC

InChI

InChI=1S/C22H22IN3O3S/c1-28-19-9-14-7-8-26(11-15(14)10-20(19)29-2)12-16-13-30-22(24-16)25-21(27)17-5-3-4-6-18(17)23/h3-6,9-10,13H,7-8,11-12H2,1-2H3,(H,24,25,27)