3-[[4-(4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]methyl]-2-phenyl-quinoline-4-carboxylic acid

Systemtic Name: 3-[[4-(4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]methyl]-2-phenyl-quinoline-4-carboxylic acid Openeye Name: 3-[[4-(4,5-dihydrothiazol-2-yl)piperazin-1-yl]methyl]-2-phenyl-quinoline-4-carboxylic acid CAS Name: 3-[[4-(4,5-dihydrothiazol-2-yl)-1-piperazinyl]methyl]-2-phenyl-4-quinolinecarboxylic acid IUPAC Name: 3-[[4-(4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]methyl]-2-phenylquinoline-4-carboxylic acid Traditional Name: 2-phenyl-3-[[4-(2-thiazolin-2-yl)piperazino]methyl]cinchoninic acid Formula: C24H24N4O2S MolecularWeight: 432.53796

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC(=N1)N2CCN(CC2)CC3=C(C4=CC=CC=C4N=C3C5=CC=CC=C5)C(=O)O

Isomeric SMILES

C1CSC(=N1)N2CCN(CC2)CC3=C(C4=CC=CC=C4N=C3C5=CC=CC=C5)C(=O)O

InChI

InChI=1S/C24H24N4O2S/c29-23(30)21-18-8-4-5-9-20(18)26-22(17-6-2-1-3-7-17)19(21)16-27-11-13-28(14-12-27)24-25-10-15-31-24/h1-9H,10-16H2,(H,29,30)