N-[6-[bis(fluoranyl)methylsulfanyl]-1,3-benzothiazol-2-yl]-2-(4-chlorophenyl)quinoline-4-carboxamide

Systemtic Name: N-[6-[bis(fluoranyl)methylsulfanyl]-1,3-benzothiazol-2-yl]-2-(4-chlorophenyl)quinoline-4-carboxamide Openeye Name: 2-(4-chlorophenyl)-N-[6-(difluoromethylsulfanyl)-1,3-benzothiazol-2-yl]quinoline-4-carboxamide CAS Name: 2-(4-chlorophenyl)-N-[6-(difluoromethylthio)-1,3-benzothiazol-2-yl]-4-quinolinecarboxamide IUPAC Name: 2-(4-chlorophenyl)-N-[6-(difluoromethylsulfanyl)-1,3-benzothiazol-2-yl]quinoline-4-carboxamide Traditional Name: 2-(4-chlorophenyl)-N-[6-(difluoromethylthio)-1,3-benzothiazol-2-yl]cinchoninamide Formula: C24H14ClF2N3OS2 MolecularWeight: 497.967266

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=C(C=C3)Cl)C(=O)NC4=NC5=C(S4)C=C(C=C5)SC(F)F

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=C(C=C3)Cl)C(=O)NC4=NC5=C(S4)C=C(C=C5)SC(F)F

InChI

InChI=1S/C24H14ClF2N3OS2/c25-14-7-5-13(6-8-14)20-12-17(16-3-1-2-4-18(16)28-20)22(31)30-24-29-19-10-9-15(32-23(26)27)11-21(19)33-24/h1-12,23H,(H,29,30,31)