methyl 2-[[2-(4-bromophenyl)quinolin-4-yl]carbonylamino]-5-(dimethylcarbamoyl)-4-methyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[[2-(4-bromophenyl)quinolin-4-yl]carbonylamino]-5-(dimethylcarbamoyl)-4-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[2-(4-bromophenyl)quinoline-4-carbonyl]amino]-5-(dimethylcarbamoyl)-4-methyl-thiophene-3-carboxylate CAS Name: 2-[[[2-(4-bromophenyl)-4-quinolinyl]-oxomethyl]amino]-5-[dimethylamino(oxo)methyl]-4-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(4-bromophenyl)quinoline-4-carbonyl]amino]-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate Traditional Name: 2-[[2-(4-bromophenyl)quinoline-4-carbonyl]amino]-5-(dimethylcarbamoyl)-4-methyl-thiophene-3-carboxylic acid methyl ester Formula: C26H22BrN3O4S MolecularWeight: 552.43958

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)Br)C(=O)N(C)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)Br)C(=O)N(C)C

InChI

InChI=1S/C26H22BrN3O4S/c1-14-21(26(33)34-4)24(35-22(14)25(32)30(2)3)29-23(31)18-13-20(15-9-11-16(27)12-10-15)28-19-8-6-5-7-17(18)19/h5-13H,1-4H3,(H,29,31)