2-(8-bromanyl-3-iodanyl-quinolin-6-yl)oxy-N-(2-methylpent-3-yn-2-yl)-2-methylsulfanyl-ethanamide

Systemtic Name: 2-(8-bromanyl-3-iodanyl-quinolin-6-yl)oxy-N-(2-methylpent-3-yn-2-yl)-2-methylsulfanyl-ethanamide Openeye Name: 2-[(8-bromo-3-iodo-6-quinolyl)oxy]-N-(1,1-dimethylbut-2-ynyl)-2-methylsulfanyl-acetamide CAS Name: 2-[(8-bromo-3-iodo-6-quinolinyl)oxy]-N-(2-methylpent-3-yn-2-yl)-2-(methylthio)acetamide IUPAC Name: 2-(8-bromo-3-iodoquinolin-6-yl)oxy-N-(2-methylpent-3-yn-2-yl)-2-methylsulfanylacetamide Traditional Name: 2-[(8-bromo-3-iodo-6-quinolyl)oxy]-N-(1,1-dimethylbut-2-ynyl)-2-(methylthio)acetamide Formula: C18H18BrIN2O2S MolecularWeight: 533.22119

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Descriptors Computed from Structure

Canonical SMILES:

CC#CC(C)(C)NC(=O)C(OC1=CC(=C2C(=C1)C=C(C=N2)I)Br)SC

Isomeric SMILES

CC#CC(C)(C)NC(=O)C(OC1=CC(=C2C(=C1)C=C(C=N2)I)Br)SC

InChI

InChI=1S/C18H18BrIN2O2S/c1-5-6-18(2,3)22-16(23)17(25-4)24-13-8-11-7-12(20)10-21-15(11)14(19)9-13/h7-10,17H,1-4H3,(H,22,23)