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

Systemtic Name: 2-[4-[2-(4-methylphenyl)sulfanylpropanoylamino]phenyl]quinoline-4-carboxylic acid Openeye Name: 2-[4-[2-(p-tolylsulfanyl)propanoylamino]phenyl]quinoline-4-carboxylic acid CAS Name: 2-[4-[[2-[(4-methylphenyl)thio]-1-oxopropyl]amino]phenyl]-4-quinolinecarboxylic acid IUPAC Name: 2-[4-[2-(4-methylphenyl)sulfanylpropanoylamino]phenyl]quinoline-4-carboxylic acid Traditional Name: 2-[4-[2-(p-tolylthio)propanoylamino]phenyl]cinchoninic acid Formula: C26H22N2O3S MolecularWeight: 442.52948

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC(C)C(=O)NC2=CC=C(C=C2)C3=NC4=CC=CC=C4C(=C3)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)SC(C)C(=O)NC2=CC=C(C=C2)C3=NC4=CC=CC=C4C(=C3)C(=O)O

InChI

InChI=1S/C26H22N2O3S/c1-16-7-13-20(14-8-16)32-17(2)25(29)27-19-11-9-18(10-12-19)24-15-22(26(30)31)21-5-3-4-6-23(21)28-24/h3-15,17H,1-2H3,(H,27,29)(H,30,31)