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

Systemtic Name: N-[[(4-methylphenyl)carbonylamino]carbamothioyl]-2-phenyl-quinoline-4-carboxamide Openeye Name: N-[[(4-methylbenzoyl)amino]carbamothioyl]-2-phenyl-quinoline-4-carboxamide CAS Name: N-[[[(4-methylphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-2-phenyl-4-quinolinecarboxamide IUPAC Name: N-[[(4-methylbenzoyl)amino]carbamothioyl]-2-phenylquinoline-4-carboxamide Traditional Name: 2-phenyl-N-[(p-toluoylamino)thiocarbamoyl]cinchoninamide Formula: C25H20N4O2S MolecularWeight: 440.5169

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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=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C25H20N4O2S/c1-16-11-13-18(14-12-16)23(30)28-29-25(32)27-24(31)20-15-22(17-7-3-2-4-8-17)26-21-10-6-5-9-19(20)21/h2-15H,1H3,(H,28,30)(H2,27,29,31,32)