4,4,4-tris(fluoranyl)-N-[2-(2-thiophen-3-ylethylsulfanyl)-1,3-benzothiazol-6-yl]-3-(trifluoromethyl)butanamide

Systemtic Name: 4,4,4-tris(fluoranyl)-N-[2-(2-thiophen-3-ylethylsulfanyl)-1,3-benzothiazol-6-yl]-3-(trifluoromethyl)butanamide Openeye Name: 4,4,4-trifluoro-N-[2-[2-(3-thienyl)ethylsulfanyl]-1,3-benzothiazol-6-yl]-3-(trifluoromethyl)butanamide CAS Name: 4,4,4-trifluoro-N-[2-[2-(3-thiophenyl)ethylthio]-1,3-benzothiazol-6-yl]-3-(trifluoromethyl)butanamide IUPAC Name: 4,4,4-trifluoro-N-[2-(2-thiophen-3-ylethylsulfanyl)-1,3-benzothiazol-6-yl]-3-(trifluoromethyl)butanamide Traditional Name: 4,4,4-trifluoro-N-[2-[2-(3-thienyl)ethylthio]-1,3-benzothiazol-6-yl]-3-(trifluoromethyl)butyramide Formula: C18H14F6N2OS3 MolecularWeight: 484.501979

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1NC(=O)CC(C(F)(F)F)C(F)(F)F)SC(=N2)SCCC3=CSC=C3

Isomeric SMILES

C1=CC2=C(C=C1NC(=O)CC(C(F)(F)F)C(F)(F)F)SC(=N2)SCCC3=CSC=C3

InChI

InChI=1S/C18H14F6N2OS3/c19-17(20,21)14(18(22,23)24)8-15(27)25-11-1-2-12-13(7-11)30-16(26-12)29-6-4-10-3-5-28-9-10/h1-3,5,7,9,14H,4,6,8H2,(H,25,27)