N-[2-[2-(tert-butylamino)-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]-2-fluoranyl-benzamide

Systemtic Name: N-[2-[2-(tert-butylamino)-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]-2-fluoranyl-benzamide Openeye Name: N-[2-[2-(tert-butylamino)-2-oxo-ethyl]sulfanyl-1,3-benzothiazol-6-yl]-2-fluoro-benzamide CAS Name: N-[2-[[2-(tert-butylamino)-2-oxoethyl]thio]-1,3-benzothiazol-6-yl]-2-fluorobenzamide IUPAC Name: N-[2-[2-(tert-butylamino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]-2-fluorobenzamide Traditional Name: N-[2-[[2-(tert-butylamino)-2-keto-ethyl]thio]-1,3-benzothiazol-6-yl]-2-fluoro-benzamide Formula: C20H20FN3O2S2 MolecularWeight: 417.520103

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)CSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CC=CC=C3F

Isomeric SMILES

CC(C)(C)NC(=O)CSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CC=CC=C3F

InChI

InChI=1S/C20H20FN3O2S2/c1-20(2,3)24-17(25)11-27-19-23-15-9-8-12(10-16(15)28-19)22-18(26)13-6-4-5-7-14(13)21/h4-10H,11H2,1-3H3,(H,22,26)(H,24,25)