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

Systemtic Name: methyl 4-(4-bromophenyl)-2-[[2-(4-propylphenyl)quinolin-4-yl]carbonylamino]thiophene-3-carboxylate Openeye Name: methyl 4-(4-bromophenyl)-2-[[2-(4-propylphenyl)quinoline-4-carbonyl]amino]thiophene-3-carboxylate CAS Name: 4-(4-bromophenyl)-2-[[oxo-[2-(4-propylphenyl)-4-quinolinyl]methyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-(4-bromophenyl)-2-[[2-(4-propylphenyl)quinoline-4-carbonyl]amino]thiophene-3-carboxylate Traditional Name: 4-(4-bromophenyl)-2-[[2-(4-propylphenyl)quinoline-4-carbonyl]amino]thiophene-3-carboxylic acid methyl ester Formula: C31H25BrN2O3S MolecularWeight: 585.5108

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C(=CS4)C5=CC=C(C=C5)Br)C(=O)OC

Isomeric SMILES

CCCC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C(=CS4)C5=CC=C(C=C5)Br)C(=O)OC

InChI

InChI=1S/C31H25BrN2O3S/c1-3-6-19-9-11-21(12-10-19)27-17-24(23-7-4-5-8-26(23)33-27)29(35)34-30-28(31(36)37-2)25(18-38-30)20-13-15-22(32)16-14-20/h4-5,7-18H,3,6H2,1-2H3,(H,34,35)