N-[[(5-chloranyl-2-methoxy-phenyl)carbonylamino]carbamothioyl]-2-phenyl-quinoline-4-carboxamide

Systemtic Name: N-[[(5-chloranyl-2-methoxy-phenyl)carbonylamino]carbamothioyl]-2-phenyl-quinoline-4-carboxamide Openeye Name: N-[[(5-chloro-2-methoxy-benzoyl)amino]carbamothioyl]-2-phenyl-quinoline-4-carboxamide CAS Name: N-[[[(5-chloro-2-methoxyphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-2-phenyl-4-quinolinecarboxamide IUPAC Name: N-[[(5-chloro-2-methoxybenzoyl)amino]carbamothioyl]-2-phenylquinoline-4-carboxamide Traditional Name: N-[[(5-chloro-2-methoxy-benzoyl)amino]thiocarbamoyl]-2-phenyl-cinchoninamide Formula: C25H19ClN4O3S MolecularWeight: 490.96136

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)C(=O)NNC(=S)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)C(=O)NNC(=S)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4

InChI

InChI=1S/C25H19ClN4O3S/c1-33-22-12-11-16(26)13-19(22)24(32)29-30-25(34)28-23(31)18-14-21(15-7-3-2-4-8-15)27-20-10-6-5-9-17(18)20/h2-14H,1H3,(H,29,32)(H2,28,30,31,34)