methyl 2-[[6-bromanyl-2-(4-methylphenyl)quinolin-4-yl]carbonylamino]-5-(diethylcarbamoyl)-4-methyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[[6-bromanyl-2-(4-methylphenyl)quinolin-4-yl]carbonylamino]-5-(diethylcarbamoyl)-4-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[6-bromo-2-(p-tolyl)quinoline-4-carbonyl]amino]-5-(diethylcarbamoyl)-4-methyl-thiophene-3-carboxylate CAS Name: 2-[[[6-bromo-2-(4-methylphenyl)-4-quinolinyl]-oxomethyl]amino]-5-[diethylamino(oxo)methyl]-4-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[6-bromo-2-(4-methylphenyl)quinoline-4-carbonyl]amino]-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate Traditional Name: 2-[[6-bromo-2-(p-tolyl)quinoline-4-carbonyl]amino]-5-(diethylcarbamoyl)-4-methyl-thiophene-3-carboxylic acid methyl ester Formula: C29H28BrN3O4S MolecularWeight: 594.51932

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=O)C2=CC(=NC3=C2C=C(C=C3)Br)C4=CC=C(C=C4)C)C(=O)OC)C

Isomeric SMILES

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=O)C2=CC(=NC3=C2C=C(C=C3)Br)C4=CC=C(C=C4)C)C(=O)OC)C

InChI

InChI=1S/C29H28BrN3O4S/c1-6-33(7-2)28(35)25-17(4)24(29(36)37-5)27(38-25)32-26(34)21-15-23(18-10-8-16(3)9-11-18)31-22-13-12-19(30)14-20(21)22/h8-15H,6-7H2,1-5H3,(H,32,34)