N-[2-[[1-(1,3-benzothiazol-2-yl)-3-methylsulfanyl-propyl]amino]-2-oxidanylidene-ethyl]-4-fluoranyl-benzamide

Systemtic Name: N-[2-[[1-(1,3-benzothiazol-2-yl)-3-methylsulfanyl-propyl]amino]-2-oxidanylidene-ethyl]-4-fluoranyl-benzamide Openeye Name: N-[2-[[1-(1,3-benzothiazol-2-yl)-3-methylsulfanyl-propyl]amino]-2-oxo-ethyl]-4-fluoro-benzamide CAS Name: N-[2-[[1-(1,3-benzothiazol-2-yl)-3-(methylthio)propyl]amino]-2-oxoethyl]-4-fluorobenzamide IUPAC Name: N-[2-[[1-(1,3-benzothiazol-2-yl)-3-methylsulfanylpropyl]amino]-2-oxoethyl]-4-fluorobenzamide Traditional Name: N-[2-[[1-(1,3-benzothiazol-2-yl)-3-(methylthio)propyl]amino]-2-keto-ethyl]-4-fluoro-benzamide Formula: C20H20FN3O2S2 MolecularWeight: 417.520103

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C1=NC2=CC=CC=C2S1)NC(=O)CNC(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CSCCC(C1=NC2=CC=CC=C2S1)NC(=O)CNC(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C20H20FN3O2S2/c1-27-11-10-16(20-24-15-4-2-3-5-17(15)28-20)23-18(25)12-22-19(26)13-6-8-14(21)9-7-13/h2-9,16H,10-12H2,1H3,(H,22,26)(H,23,25)