N-(4-bromanyl-2-methyl-phenyl)-2-[4-(1-methylimidazol-2-yl)carbonylquinolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(4-bromanyl-2-methyl-phenyl)-2-[4-(1-methylimidazol-2-yl)carbonylquinolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(4-bromo-2-methyl-phenyl)-2-[[4-(1-methylimidazole-2-carbonyl)-2-quinolyl]sulfanyl]acetamide CAS Name: N-(4-bromo-2-methylphenyl)-2-[[4-[(1-methyl-2-imidazolyl)-oxomethyl]-2-quinolinyl]thio]acetamide IUPAC Name: N-(4-bromo-2-methylphenyl)-2-[4-(1-methylimidazole-2-carbonyl)quinolin-2-yl]sulfanylacetamide Traditional Name: N-(4-bromo-2-methyl-phenyl)-2-[[4-(1-methylimidazole-2-carbonyl)-2-quinolyl]thio]acetamide Formula: C23H19BrN4O2S MolecularWeight: 495.39156

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)CSC2=NC3=CC=CC=C3C(=C2)C(=O)C4=NC=CN4C

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)CSC2=NC3=CC=CC=C3C(=C2)C(=O)C4=NC=CN4C

InChI

InChI=1S/C23H19BrN4O2S/c1-14-11-15(24)7-8-18(14)26-20(29)13-31-21-12-17(16-5-3-4-6-19(16)27-21)22(30)23-25-9-10-28(23)2/h3-12H,13H2,1-2H3,(H,26,29)