2-[4-[2-(4-chlorophenyl)sulfanylethanoylamino]phenyl]quinoline-4-carboxylic acid

Systemtic Name: 2-[4-[2-(4-chlorophenyl)sulfanylethanoylamino]phenyl]quinoline-4-carboxylic acid Openeye Name: 2-[4-[[2-(4-chlorophenyl)sulfanylacetyl]amino]phenyl]quinoline-4-carboxylic acid CAS Name: 2-[4-[[2-[(4-chlorophenyl)thio]-1-oxoethyl]amino]phenyl]-4-quinolinecarboxylic acid IUPAC Name: 2-[4-[[2-(4-chlorophenyl)sulfanylacetyl]amino]phenyl]quinoline-4-carboxylic acid Traditional Name: 2-[4-[[2-[(4-chlorophenyl)thio]acetyl]amino]phenyl]cinchoninic acid Formula: C24H17ClN2O3S MolecularWeight: 448.92138

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=C(C=C3)NC(=O)CSC4=CC=C(C=C4)Cl)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=C(C=C3)NC(=O)CSC4=CC=C(C=C4)Cl)C(=O)O

InChI

InChI=1S/C24H17ClN2O3S/c25-16-7-11-18(12-8-16)31-14-23(28)26-17-9-5-15(6-10-17)22-13-20(24(29)30)19-3-1-2-4-21(19)27-22/h1-13H,14H2,(H,26,28)(H,29,30)