N-[2-[2-(trifluoromethyl)quinolin-4-yl]sulfanylethyl]-1,3-benzothiazole-6-carboxamide

Systemtic Name: N-[2-[2-(trifluoromethyl)quinolin-4-yl]sulfanylethyl]-1,3-benzothiazole-6-carboxamide Openeye Name: N-[2-[[2-(trifluoromethyl)-4-quinolyl]sulfanyl]ethyl]-1,3-benzothiazole-6-carboxamide CAS Name: N-[2-[[2-(trifluoromethyl)-4-quinolinyl]thio]ethyl]-1,3-benzothiazole-6-carboxamide IUPAC Name: N-[2-[2-(trifluoromethyl)quinolin-4-yl]sulfanylethyl]-1,3-benzothiazole-6-carboxamide Traditional Name: N-[2-[[2-(trifluoromethyl)-4-quinolyl]thio]ethyl]-1,3-benzothiazole-6-carboxamide Formula: C20H14F3N3OS2 MolecularWeight: 433.46987

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=N2)C(F)(F)F)SCCNC(=O)C3=CC4=C(C=C3)N=CS4

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=N2)C(F)(F)F)SCCNC(=O)C3=CC4=C(C=C3)N=CS4

InChI

InChI=1S/C20H14F3N3OS2/c21-20(22,23)18-10-16(13-3-1-2-4-14(13)26-18)28-8-7-24-19(27)12-5-6-15-17(9-12)29-11-25-15/h1-6,9-11H,7-8H2,(H,24,27)