N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(2-ethanoyl-1H-isoquinolin-1-yl)ethanamide

Systemtic Name: N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(2-ethanoyl-1H-isoquinolin-1-yl)ethanamide Openeye Name: 2-(2-acetyl-1H-isoquinolin-1-yl)-N-[4-(4-bromophenyl)thiazol-2-yl]acetamide CAS Name: 2-(2-acetyl-1H-isoquinolin-1-yl)-N-[4-(4-bromophenyl)-2-thiazolyl]acetamide IUPAC Name: 2-(2-acetyl-1H-isoquinolin-1-yl)-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]acetamide Traditional Name: 2-(2-acetyl-1H-isoquinolin-1-yl)-N-[4-(4-bromophenyl)thiazol-2-yl]acetamide Formula: C22H18BrN3O2S MolecularWeight: 468.36622

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C=CC2=CC=CC=C2C1CC(=O)NC3=NC(=CS3)C4=CC=C(C=C4)Br

Isomeric SMILES

CC(=O)N1C=CC2=CC=CC=C2C1CC(=O)NC3=NC(=CS3)C4=CC=C(C=C4)Br

InChI

InChI=1S/C22H18BrN3O2S/c1-14(27)26-11-10-15-4-2-3-5-18(15)20(26)12-21(28)25-22-24-19(13-29-22)16-6-8-17(23)9-7-16/h2-11,13,20H,12H2,1H3,(H,24,25,28)