[2-[(3,5-diaminocarbonylphenyl)amino]-2-oxidanylidene-ethyl] 2-thiophen-2-ylquinoline-4-carboxylate

Systemtic Name: [2-[(3,5-diaminocarbonylphenyl)amino]-2-oxidanylidene-ethyl] 2-thiophen-2-ylquinoline-4-carboxylate Openeye Name: [2-(3,5-dicarbamoylanilino)-2-oxo-ethyl] 2-(2-thienyl)quinoline-4-carboxylate CAS Name: 2-thiophen-2-yl-4-quinolinecarboxylic acid [2-(3,5-dicarbamoylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,5-dicarbamoylanilino)-2-oxoethyl] 2-thiophen-2-ylquinoline-4-carboxylate Traditional Name: 2-(2-thienyl)cinchoninic acid [2-(3,5-dicarbamoylanilino)-2-keto-ethyl] ester Formula: C24H18N4O5S MolecularWeight: 474.48852

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=CS3)C(=O)OCC(=O)NC4=CC(=CC(=C4)C(=O)N)C(=O)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=CS3)C(=O)OCC(=O)NC4=CC(=CC(=C4)C(=O)N)C(=O)N

InChI

InChI=1S/C24H18N4O5S/c25-22(30)13-8-14(23(26)31)10-15(9-13)27-21(29)12-33-24(32)17-11-19(20-6-3-7-34-20)28-18-5-2-1-4-16(17)18/h1-11H,12H2,(H2,25,30)(H2,26,31)(H,27,29)