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

Systemtic Name: N-[6-[bis(fluoranyl)methylsulfanyl]-1,3-benzothiazol-2-yl]-2-thiophen-2-yl-quinoline-4-carboxamide Openeye Name: N-[6-(difluoromethylsulfanyl)-1,3-benzothiazol-2-yl]-2-(2-thienyl)quinoline-4-carboxamide CAS Name: N-[6-(difluoromethylthio)-1,3-benzothiazol-2-yl]-2-thiophen-2-yl-4-quinolinecarboxamide IUPAC Name: N-[6-(difluoromethylsulfanyl)-1,3-benzothiazol-2-yl]-2-thiophen-2-ylquinoline-4-carboxamide Traditional Name: N-[6-(difluoromethylthio)-1,3-benzothiazol-2-yl]-2-(2-thienyl)cinchoninamide Formula: C22H13F2N3OS3 MolecularWeight: 469.549926

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=CS3)C(=O)NC4=NC5=C(S4)C=C(C=C5)SC(F)F

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=CS3)C(=O)NC4=NC5=C(S4)C=C(C=C5)SC(F)F

InChI

InChI=1S/C22H13F2N3OS3/c23-21(24)30-12-7-8-16-19(10-12)31-22(26-16)27-20(28)14-11-17(18-6-3-9-29-18)25-15-5-2-1-4-13(14)15/h1-11,21H,(H,26,27,28)