1-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]ethanone

Systemtic Name: 1-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]ethanone Openeye Name: 1-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(2-thiazol-4-ylbenzimidazol-1-yl)ethanone CAS Name: 1-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-[2-(4-thiazolyl)-1-benzimidazolyl]ethanone IUPAC Name: 1-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]ethanone Traditional Name: 1-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(2-thiazol-4-ylbenzimidazol-1-yl)ethanone Formula: C25H26N4O3S MolecularWeight: 462.56394

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2CN(CCC2=C1)C(=O)CN3C4=CC=CC=C4N=C3C5=CSC=N5)OCC

Isomeric SMILES

CCOC1=C(C=C2CN(CCC2=C1)C(=O)CN3C4=CC=CC=C4N=C3C5=CSC=N5)OCC

InChI

InChI=1S/C25H26N4O3S/c1-3-31-22-11-17-9-10-28(13-18(17)12-23(22)32-4-2)24(30)14-29-21-8-6-5-7-19(21)27-25(29)20-15-33-16-26-20/h5-8,11-12,15-16H,3-4,9-10,13-14H2,1-2H3