2-(3-bromanylquinolin-6-yl)oxy-N-(7-cyanohept-3-yn-2-yl)-2-methylsulfanyl-ethanamide

Systemtic Name: 2-(3-bromanylquinolin-6-yl)oxy-N-(7-cyanohept-3-yn-2-yl)-2-methylsulfanyl-ethanamide Openeye Name: 2-[(3-bromo-6-quinolyl)oxy]-N-(6-cyano-1-methyl-hex-2-ynyl)-2-methylsulfanyl-acetamide CAS Name: 2-[(3-bromo-6-quinolinyl)oxy]-N-(7-cyanohept-3-yn-2-yl)-2-(methylthio)acetamide IUPAC Name: 2-(3-bromoquinolin-6-yl)oxy-N-(7-cyanohept-3-yn-2-yl)-2-methylsulfanylacetamide Traditional Name: 2-[(3-bromo-6-quinolyl)oxy]-N-(6-cyano-1-methyl-hex-2-ynyl)-2-(methylthio)acetamide Formula: C20H20BrN3O2S MolecularWeight: 446.3607

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#CCCCC#N)NC(=O)C(OC1=CC2=CC(=CN=C2C=C1)Br)SC

Isomeric SMILES

CC(C#CCCCC#N)NC(=O)C(OC1=CC2=CC(=CN=C2C=C1)Br)SC

InChI

InChI=1S/C20H20BrN3O2S/c1-14(7-5-3-4-6-10-22)24-19(25)20(27-2)26-17-8-9-18-15(12-17)11-16(21)13-23-18/h8-9,11-14,20H,3-4,6H2,1-2H3,(H,24,25)