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

Systemtic Name: N-[4-[2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-ethyl]sulfanylphenyl]-2-fluoranyl-benzamide Openeye Name: N-[4-[2-(1,3-benzothiazol-2-ylamino)-2-oxo-ethyl]sulfanylphenyl]-2-fluoro-benzamide CAS Name: N-[4-[[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]thio]phenyl]-2-fluorobenzamide IUPAC Name: N-[4-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]sulfanylphenyl]-2-fluorobenzamide Traditional Name: N-[4-[[2-(1,3-benzothiazol-2-ylamino)-2-keto-ethyl]thio]phenyl]-2-fluoro-benzamide Formula: C22H16FN3O2S2 MolecularWeight: 437.509743

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)SCC(=O)NC3=NC4=CC=CC=C4S3)F

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)SCC(=O)NC3=NC4=CC=CC=C4S3)F

InChI

InChI=1S/C22H16FN3O2S2/c23-17-6-2-1-5-16(17)21(28)24-14-9-11-15(12-10-14)29-13-20(27)26-22-25-18-7-3-4-8-19(18)30-22/h1-12H,13H2,(H,24,28)(H,25,26,27)