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

Systemtic Name: 2-methyl-N-[[(2-phenylquinolin-4-yl)carbonylamino]carbamothioyl]pyrazole-3-carboxamide Openeye Name: 2-methyl-N-[[(2-phenylquinoline-4-carbonyl)amino]carbamothioyl]pyrazole-3-carboxamide CAS Name: 2-methyl-N-[[[oxo-(2-phenyl-4-quinolinyl)methyl]hydrazo]-sulfanylidenemethyl]-3-pyrazolecarboxamide IUPAC Name: 2-methyl-N-[[(2-phenylquinoline-4-carbonyl)amino]carbamothioyl]pyrazole-3-carboxamide Traditional Name: 2-methyl-N-[[(2-phenylquinoline-4-carbonyl)amino]thiocarbamoyl]pyrazole-3-carboxamide Formula: C22H18N6O2S MolecularWeight: 430.48232

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H18N6O2S/c1-28-19(11-12-23-28)21(30)25-22(31)27-26-20(29)16-13-18(14-7-3-2-4-8-14)24-17-10-6-5-9-15(16)17/h2-13H,1H3,(H,26,29)(H2,25,27,30,31)