2-[4-[2-(1-methylimidazol-2-yl)sulfanylpropanoylamino]phenyl]quinoline-4-carboxylic acid

Systemtic Name: 2-[4-[2-(1-methylimidazol-2-yl)sulfanylpropanoylamino]phenyl]quinoline-4-carboxylic acid Openeye Name: 2-[4-[2-(1-methylimidazol-2-yl)sulfanylpropanoylamino]phenyl]quinoline-4-carboxylic acid CAS Name: 2-[4-[[2-[(1-methyl-2-imidazolyl)thio]-1-oxopropyl]amino]phenyl]-4-quinolinecarboxylic acid IUPAC Name: 2-[4-[2-(1-methylimidazol-2-yl)sulfanylpropanoylamino]phenyl]quinoline-4-carboxylic acid Traditional Name: 2-[4-[2-[(1-methylimidazol-2-yl)thio]propanoylamino]phenyl]cinchoninic acid Formula: C23H20N4O3S MolecularWeight: 432.4949

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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=NC=CN4C

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)O)SC4=NC=CN4C

InChI

InChI=1S/C23H20N4O3S/c1-14(31-23-24-11-12-27(23)2)21(28)25-16-9-7-15(8-10-16)20-13-18(22(29)30)17-5-3-4-6-19(17)26-20/h3-14H,1-2H3,(H,25,28)(H,29,30)