N-[4-[2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-1-phenyl-ethyl]sulfanylphenyl]-2-fluoranyl-benzamide

Systemtic Name: N-[4-[2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-1-phenyl-ethyl]sulfanylphenyl]-2-fluoranyl-benzamide Openeye Name: N-[4-[2-(1,3-benzothiazol-2-ylamino)-2-oxo-1-phenyl-ethyl]sulfanylphenyl]-2-fluoro-benzamide CAS Name: N-[4-[[2-(1,3-benzothiazol-2-ylamino)-2-oxo-1-phenylethyl]thio]phenyl]-2-fluorobenzamide IUPAC Name: N-[4-[2-(1,3-benzothiazol-2-ylamino)-2-oxo-1-phenylethyl]sulfanylphenyl]-2-fluorobenzamide Traditional Name: N-[4-[[2-(1,3-benzothiazol-2-ylamino)-2-keto-1-phenyl-ethyl]thio]phenyl]-2-fluoro-benzamide Formula: C28H20FN3O2S2 MolecularWeight: 513.605703

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)NC2=NC3=CC=CC=C3S2)SC4=CC=C(C=C4)NC(=O)C5=CC=CC=C5F

Isomeric SMILES

C1=CC=C(C=C1)C(C(=O)NC2=NC3=CC=CC=C3S2)SC4=CC=C(C=C4)NC(=O)C5=CC=CC=C5F

InChI

InChI=1S/C28H20FN3O2S2/c29-22-11-5-4-10-21(22)26(33)30-19-14-16-20(17-15-19)35-25(18-8-2-1-3-9-18)27(34)32-28-31-23-12-6-7-13-24(23)36-28/h1-17,25H,(H,30,33)(H,31,32,34)