5-methyl-3-phenyl-N-[[(2-phenylquinolin-4-yl)carbonylamino]carbamothioyl]-1,2-oxazole-4-carboxamide

Systemtic Name: 5-methyl-3-phenyl-N-[[(2-phenylquinolin-4-yl)carbonylamino]carbamothioyl]-1,2-oxazole-4-carboxamide Openeye Name: 5-methyl-3-phenyl-N-[[(2-phenylquinoline-4-carbonyl)amino]carbamothioyl]isoxazole-4-carboxamide CAS Name: 5-methyl-N-[[[oxo-(2-phenyl-4-quinolinyl)methyl]hydrazo]-sulfanylidenemethyl]-3-phenyl-4-isoxazolecarboxamide IUPAC Name: 5-methyl-3-phenyl-N-[[(2-phenylquinoline-4-carbonyl)amino]carbamothioyl]-1,2-oxazole-4-carboxamide Traditional Name: 5-methyl-3-phenyl-N-[[(2-phenylquinoline-4-carbonyl)amino]thiocarbamoyl]isoxazole-4-carboxamide Formula: C28H21N5O3S MolecularWeight: 507.56304

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NC(=S)NNC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=C5

Isomeric SMILES

CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NC(=S)NNC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=C5

InChI

InChI=1S/C28H21N5O3S/c1-17-24(25(33-36-17)19-12-6-3-7-13-19)27(35)30-28(37)32-31-26(34)21-16-23(18-10-4-2-5-11-18)29-22-15-9-8-14-20(21)22/h2-16H,1H3,(H,31,34)(H2,30,32,35,37)