N-[4-[2-[(2-bromophenyl)amino]-2-oxidanylidene-ethyl]sulfanylphenyl]-2-fluoranyl-benzamide

Systemtic Name: N-[4-[2-[(2-bromophenyl)amino]-2-oxidanylidene-ethyl]sulfanylphenyl]-2-fluoranyl-benzamide Openeye Name: N-[4-[2-(2-bromoanilino)-2-oxo-ethyl]sulfanylphenyl]-2-fluoro-benzamide CAS Name: N-[4-[[2-(2-bromoanilino)-2-oxoethyl]thio]phenyl]-2-fluorobenzamide IUPAC Name: N-[4-[2-(2-bromoanilino)-2-oxoethyl]sulfanylphenyl]-2-fluorobenzamide Traditional Name: N-[4-[[2-(2-bromoanilino)-2-keto-ethyl]thio]phenyl]-2-fluoro-benzamide Formula: C21H16BrFN2O2S MolecularWeight: 459.331343

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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=CC=CC=C3Br)F

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)SCC(=O)NC3=CC=CC=C3Br)F

InChI

InChI=1S/C21H16BrFN2O2S/c22-17-6-2-4-8-19(17)25-20(26)13-28-15-11-9-14(10-12-15)24-21(27)16-5-1-3-7-18(16)23/h1-12H,13H2,(H,24,27)(H,25,26)