methyl 2-[[2-(4-bromophenyl)quinolin-4-yl]carbonylamino]-4-methyl-1,3-thiazole-5-carboxylate

Systemtic Name: methyl 2-[[2-(4-bromophenyl)quinolin-4-yl]carbonylamino]-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: methyl 2-[[2-(4-bromophenyl)quinoline-4-carbonyl]amino]-4-methyl-thiazole-5-carboxylate CAS Name: 2-[[[2-(4-bromophenyl)-4-quinolinyl]-oxomethyl]amino]-4-methyl-5-thiazolecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(4-bromophenyl)quinoline-4-carbonyl]amino]-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[[2-(4-bromophenyl)quinoline-4-carbonyl]amino]-4-methyl-thiazole-5-carboxylic acid methyl ester Formula: C22H16BrN3O3S MolecularWeight: 482.34974

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)Br)C(=O)OC

Isomeric SMILES

CC1=C(SC(=N1)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)Br)C(=O)OC

InChI

InChI=1S/C22H16BrN3O3S/c1-12-19(21(28)29-2)30-22(24-12)26-20(27)16-11-18(13-7-9-14(23)10-8-13)25-17-6-4-3-5-15(16)17/h3-11H,1-2H3,(H,24,26,27)