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

Systemtic Name: 2-(2-chlorophenyl)-N-[2-cyanoethyl-(2-fluorophenyl)carbamothioyl]quinoline-4-carboxamide Openeye Name: 2-(2-chlorophenyl)-N-[2-cyanoethyl-(2-fluorophenyl)carbamothioyl]quinoline-4-carboxamide CAS Name: 2-(2-chlorophenyl)-N-[[N-(2-cyanoethyl)-2-fluoroanilino]-sulfanylidenemethyl]-4-quinolinecarboxamide IUPAC Name: 2-(2-chlorophenyl)-N-[2-cyanoethyl-(2-fluorophenyl)carbamothioyl]quinoline-4-carboxamide Traditional Name: 2-(2-chlorophenyl)-N-[2-cyanoethyl-(2-fluorophenyl)thiocarbamoyl]cinchoninamide Formula: C26H18ClFN4OS MolecularWeight: 488.963723

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=CC=C3Cl)C(=O)NC(=S)N(CCC#N)C4=CC=CC=C4F

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=CC=C3Cl)C(=O)NC(=S)N(CCC#N)C4=CC=CC=C4F

InChI

InChI=1S/C26H18ClFN4OS/c27-20-10-3-1-9-18(20)23-16-19(17-8-2-5-12-22(17)30-23)25(33)31-26(34)32(15-7-14-29)24-13-6-4-11-21(24)28/h1-6,8-13,16H,7,15H2,(H,31,33,34)