N-[[(4-chloranyl-2-methyl-pyrazol-3-yl)carbonylamino]carbamothioyl]-2-phenyl-quinoline-4-carboxamide

Systemtic Name: N-[[(4-chloranyl-2-methyl-pyrazol-3-yl)carbonylamino]carbamothioyl]-2-phenyl-quinoline-4-carboxamide Openeye Name: N-[[(4-chloro-2-methyl-pyrazole-3-carbonyl)amino]carbamothioyl]-2-phenyl-quinoline-4-carboxamide CAS Name: N-[[[(4-chloro-2-methyl-3-pyrazolyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-2-phenyl-4-quinolinecarboxamide IUPAC Name: N-[[(4-chloro-2-methylpyrazole-3-carbonyl)amino]carbamothioyl]-2-phenylquinoline-4-carboxamide Traditional Name: N-[[(4-chloro-2-methyl-pyrazole-3-carbonyl)amino]thiocarbamoyl]-2-phenyl-cinchoninamide Formula: C22H17ClN6O2S MolecularWeight: 464.92738

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C=N1)Cl)C(=O)NNC(=S)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4

Isomeric SMILES

CN1C(=C(C=N1)Cl)C(=O)NNC(=S)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4

InChI

InChI=1S/C22H17ClN6O2S/c1-29-19(16(23)12-24-29)21(31)27-28-22(32)26-20(30)15-11-18(13-7-3-2-4-8-13)25-17-10-6-5-9-14(15)17/h2-12H,1H3,(H,27,31)(H2,26,28,30,32)