4-chloranyl-2-methyl-N-[[(2-phenylquinolin-4-yl)carbonylamino]carbamothioyl]pyrazole-3-carboxamide

Systemtic Name: 4-chloranyl-2-methyl-N-[[(2-phenylquinolin-4-yl)carbonylamino]carbamothioyl]pyrazole-3-carboxamide Openeye Name: 4-chloro-2-methyl-N-[[(2-phenylquinoline-4-carbonyl)amino]carbamothioyl]pyrazole-3-carboxamide CAS Name: 4-chloro-2-methyl-N-[[[oxo-(2-phenyl-4-quinolinyl)methyl]hydrazo]-sulfanylidenemethyl]-3-pyrazolecarboxamide IUPAC Name: 4-chloro-2-methyl-N-[[(2-phenylquinoline-4-carbonyl)amino]carbamothioyl]pyrazole-3-carboxamide Traditional Name: 4-chloro-2-methyl-N-[[(2-phenylquinoline-4-carbonyl)amino]thiocarbamoyl]pyrazole-3-carboxamide Formula: C22H17ClN6O2S MolecularWeight: 464.92738

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CN1C(=C(C=N1)Cl)C(=O)NC(=S)NNC(=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)26-22(32)28-27-20(30)15-11-18(13-7-3-2-4-8-13)25-17-10-6-5-9-14(15)17/h2-12H,1H3,(H,27,30)(H2,26,28,31,32)