3-[[4-(methylcarbamothioyl)piperazin-1-yl]methyl]-2-phenyl-quinoline-4-carboxylic acid

Systemtic Name: 3-[[4-(methylcarbamothioyl)piperazin-1-yl]methyl]-2-phenyl-quinoline-4-carboxylic acid Openeye Name: 3-[[4-(methylcarbamothioyl)piperazin-1-yl]methyl]-2-phenyl-quinoline-4-carboxylic acid CAS Name: 3-[[4-[methylamino(sulfanylidene)methyl]-1-piperazinyl]methyl]-2-phenyl-4-quinolinecarboxylic acid IUPAC Name: 3-[[4-(methylcarbamothioyl)piperazin-1-yl]methyl]-2-phenylquinoline-4-carboxylic acid Traditional Name: 3-[[4-(methylthiocarbamoyl)piperazino]methyl]-2-phenyl-cinchoninic acid Formula: C23H24N4O2S MolecularWeight: 420.52726

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)N1CCN(CC1)CC2=C(C3=CC=CC=C3N=C2C4=CC=CC=C4)C(=O)O

Isomeric SMILES

CNC(=S)N1CCN(CC1)CC2=C(C3=CC=CC=C3N=C2C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C23H24N4O2S/c1-24-23(30)27-13-11-26(12-14-27)15-18-20(22(28)29)17-9-5-6-10-19(17)25-21(18)16-7-3-2-4-8-16/h2-10H,11-15H2,1H3,(H,24,30)(H,28,29)