2-quinolin-8-ylsulfanyl-N-[4,5,6-tris(fluoranyl)-1,3-benzothiazol-2-yl]ethanamide

Systemtic Name: 2-quinolin-8-ylsulfanyl-N-[4,5,6-tris(fluoranyl)-1,3-benzothiazol-2-yl]ethanamide Openeye Name: 2-(8-quinolylsulfanyl)-N-(4,5,6-trifluoro-1,3-benzothiazol-2-yl)acetamide CAS Name: 2-(8-quinolinylthio)-N-(4,5,6-trifluoro-1,3-benzothiazol-2-yl)acetamide IUPAC Name: 2-quinolin-8-ylsulfanyl-N-(4,5,6-trifluoro-1,3-benzothiazol-2-yl)acetamide Traditional Name: 2-(8-quinolylthio)-N-(4,5,6-trifluoro-1,3-benzothiazol-2-yl)acetamide Formula: C18H10F3N3OS2 MolecularWeight: 405.41671

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)SCC(=O)NC3=NC4=C(S3)C=C(C(=C4F)F)F)N=CC=C2

Isomeric SMILES

C1=CC2=C(C(=C1)SCC(=O)NC3=NC4=C(S3)C=C(C(=C4F)F)F)N=CC=C2

InChI

InChI=1S/C18H10F3N3OS2/c19-10-7-12-17(15(21)14(10)20)24-18(27-12)23-13(25)8-26-11-5-1-3-9-4-2-6-22-16(9)11/h1-7H,8H2,(H,23,24,25)