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

Systemtic Name: N-[[2-(4-chlorophenyl)ethanoylamino]carbamothioyl]-2-phenyl-quinoline-4-carboxamide Openeye Name: N-[[[2-(4-chlorophenyl)acetyl]amino]carbamothioyl]-2-phenyl-quinoline-4-carboxamide CAS Name: N-[[[2-(4-chlorophenyl)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-2-phenyl-4-quinolinecarboxamide IUPAC Name: N-[[[2-(4-chlorophenyl)acetyl]amino]carbamothioyl]-2-phenylquinoline-4-carboxamide Traditional Name: N-[[[2-(4-chlorophenyl)acetyl]amino]thiocarbamoyl]-2-phenyl-cinchoninamide Formula: C25H19ClN4O2S MolecularWeight: 474.96196

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC(=S)NNC(=O)CC4=CC=C(C=C4)Cl

Isomeric SMILES

C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC(=S)NNC(=O)CC4=CC=C(C=C4)Cl

InChI

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