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

Systemtic Name: 2-(4-chlorophenyl)-N-[(2-phenylethanoylamino)carbamothioyl]quinoline-4-carboxamide Openeye Name: 2-(4-chlorophenyl)-N-[[(2-phenylacetyl)amino]carbamothioyl]quinoline-4-carboxamide CAS Name: 2-(4-chlorophenyl)-N-[[(1-oxo-2-phenylethyl)hydrazo]-sulfanylidenemethyl]-4-quinolinecarboxamide IUPAC Name: 2-(4-chlorophenyl)-N-[[(2-phenylacetyl)amino]carbamothioyl]quinoline-4-carboxamide Traditional Name: 2-(4-chlorophenyl)-N-[[(2-phenylacetyl)amino]thiocarbamoyl]cinchoninamide Formula: C25H19ClN4O2S MolecularWeight: 474.96196

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H19ClN4O2S/c26-18-12-10-17(11-13-18)22-15-20(19-8-4-5-9-21(19)27-22)24(32)28-25(33)30-29-23(31)14-16-6-2-1-3-7-16/h1-13,15H,14H2,(H,29,31)(H2,28,30,32,33)