N-(1H-benzimidazol-2-ylmethylcarbamothioyl)-2-(2-chlorophenyl)quinoline-4-carboxamide

Systemtic Name: N-(1H-benzimidazol-2-ylmethylcarbamothioyl)-2-(2-chlorophenyl)quinoline-4-carboxamide Openeye Name: N-(1H-benzimidazol-2-ylmethylcarbamothioyl)-2-(2-chlorophenyl)quinoline-4-carboxamide CAS Name: N-[(1H-benzimidazol-2-ylmethylamino)-sulfanylidenemethyl]-2-(2-chlorophenyl)-4-quinolinecarboxamide IUPAC Name: N-(1H-benzimidazol-2-ylmethylcarbamothioyl)-2-(2-chlorophenyl)quinoline-4-carboxamide Traditional Name: N-(1H-benzimidazol-2-ylmethylthiocarbamoyl)-2-(2-chlorophenyl)cinchoninamide Formula: C25H18ClN5OS MolecularWeight: 471.96132

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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)NCC4=NC5=CC=CC=C5N4

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=CC=C3Cl)C(=O)NC(=S)NCC4=NC5=CC=CC=C5N4

InChI

InChI=1S/C25H18ClN5OS/c26-18-9-3-1-8-16(18)22-13-17(15-7-2-4-10-19(15)28-22)24(32)31-25(33)27-14-23-29-20-11-5-6-12-21(20)30-23/h1-13H,14H2,(H,29,30)(H2,27,31,32,33)