2-(4-chlorophenyl)-N-[[(4-methylphenyl)carbonylamino]carbamothioyl]quinoline-4-carboxamide

Systemtic Name: 2-(4-chlorophenyl)-N-[[(4-methylphenyl)carbonylamino]carbamothioyl]quinoline-4-carboxamide Openeye Name: 2-(4-chlorophenyl)-N-[[(4-methylbenzoyl)amino]carbamothioyl]quinoline-4-carboxamide CAS Name: 2-(4-chlorophenyl)-N-[[[(4-methylphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-4-quinolinecarboxamide IUPAC Name: 2-(4-chlorophenyl)-N-[[(4-methylbenzoyl)amino]carbamothioyl]quinoline-4-carboxamide Traditional Name: 2-(4-chlorophenyl)-N-[(p-toluoylamino)thiocarbamoyl]cinchoninamide Formula: C25H19ClN4O2S MolecularWeight: 474.96196

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C25H19ClN4O2S/c1-15-6-8-17(9-7-15)23(31)29-30-25(33)28-24(32)20-14-22(16-10-12-18(26)13-11-16)27-21-5-3-2-4-19(20)21/h2-14H,1H3,(H,29,31)(H2,28,30,32,33)