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

Systemtic Name: 2-[4-[2-(4-chlorophenyl)sulfanylpropanoylamino]phenyl]quinoline-4-carboxylic acid Openeye Name: 2-[4-[2-(4-chlorophenyl)sulfanylpropanoylamino]phenyl]quinoline-4-carboxylic acid CAS Name: 2-[4-[[2-[(4-chlorophenyl)thio]-1-oxopropyl]amino]phenyl]-4-quinolinecarboxylic acid IUPAC Name: 2-[4-[2-(4-chlorophenyl)sulfanylpropanoylamino]phenyl]quinoline-4-carboxylic acid Traditional Name: 2-[4-[2-[(4-chlorophenyl)thio]propanoylamino]phenyl]cinchoninic acid Formula: C25H19ClN2O3S MolecularWeight: 462.94796

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)O)SC4=CC=C(C=C4)Cl

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)O)SC4=CC=C(C=C4)Cl

InChI

InChI=1S/C25H19ClN2O3S/c1-15(32-19-12-8-17(26)9-13-19)24(29)27-18-10-6-16(7-11-18)23-14-21(25(30)31)20-4-2-3-5-22(20)28-23/h2-15H,1H3,(H,27,29)(H,30,31)