2-(4-chlorophenyl)-N-[[(4-methoxyphenyl)carbonylamino]carbamothioyl]quinoline-4-carboxamide

Systemtic Name: 2-(4-chlorophenyl)-N-[[(4-methoxyphenyl)carbonylamino]carbamothioyl]quinoline-4-carboxamide Openeye Name: 2-(4-chlorophenyl)-N-[[(4-methoxybenzoyl)amino]carbamothioyl]quinoline-4-carboxamide CAS Name: 2-(4-chlorophenyl)-N-[[[(4-methoxyphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-4-quinolinecarboxamide IUPAC Name: 2-(4-chlorophenyl)-N-[[(4-methoxybenzoyl)amino]carbamothioyl]quinoline-4-carboxamide Traditional Name: 2-(4-chlorophenyl)-N-[(p-anisoylamino)thiocarbamoyl]cinchoninamide Formula: C25H19ClN4O3S MolecularWeight: 490.96136

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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