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

Systemtic Name: N-[4,6-bis(fluoranyl)-1,3-benzothiazol-2-yl]-N-(pyridin-2-ylmethyl)-2-thiophen-2-yl-quinoline-4-carboxamide Openeye Name: N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-(2-pyridylmethyl)-2-(2-thienyl)quinoline-4-carboxamide CAS Name: N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-(2-pyridinylmethyl)-2-thiophen-2-yl-4-quinolinecarboxamide IUPAC Name: N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)-2-thiophen-2-ylquinoline-4-carboxamide Traditional Name: N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-(2-pyridylmethyl)-2-(2-thienyl)cinchoninamide Formula: C27H16F2N4OS2 MolecularWeight: 514.568946

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=CS3)C(=O)N(CC4=CC=CC=N4)C5=NC6=C(C=C(C=C6S5)F)F

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=CS3)C(=O)N(CC4=CC=CC=N4)C5=NC6=C(C=C(C=C6S5)F)F

InChI

InChI=1S/C27H16F2N4OS2/c28-16-12-20(29)25-24(13-16)36-27(32-25)33(15-17-6-3-4-10-30-17)26(34)19-14-22(23-9-5-11-35-23)31-21-8-2-1-7-18(19)21/h1-14H,15H2