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

Systemtic Name: 2-(4-chlorophenyl)-N-[(4-ethanoylphenyl)carbamothioyl]quinoline-4-carboxamide Openeye Name: N-[(4-acetylphenyl)carbamothioyl]-2-(4-chlorophenyl)quinoline-4-carboxamide CAS Name: N-[(4-acetylanilino)-sulfanylidenemethyl]-2-(4-chlorophenyl)-4-quinolinecarboxamide IUPAC Name: N-[(4-acetylphenyl)carbamothioyl]-2-(4-chlorophenyl)quinoline-4-carboxamide Traditional Name: N-[(4-acetylphenyl)thiocarbamoyl]-2-(4-chlorophenyl)cinchoninamide Formula: C25H18ClN3O2S MolecularWeight: 459.94732

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H18ClN3O2S/c1-15(30)16-8-12-19(13-9-16)27-25(32)29-24(31)21-14-23(17-6-10-18(26)11-7-17)28-22-5-3-2-4-20(21)22/h2-14H,1H3,(H2,27,29,31,32)