N-[2-[(4-bromophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-2-fluoranyl-benzamide

Systemtic Name: N-[2-[(4-bromophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-2-fluoranyl-benzamide Openeye Name: N-[2-[(4-bromophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-2-fluoro-benzamide CAS Name: N-[2-[(4-bromophenyl)methylthio]-1,3-benzothiazol-6-yl]-2-fluorobenzamide IUPAC Name: N-[2-[(4-bromophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-2-fluorobenzamide Traditional Name: N-[2-[(4-bromobenzyl)thio]-1,3-benzothiazol-6-yl]-2-fluoro-benzamide Formula: C21H14BrFN2OS2 MolecularWeight: 473.381063

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC4=CC=C(C=C4)Br)F

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC4=CC=C(C=C4)Br)F

InChI

InChI=1S/C21H14BrFN2OS2/c22-14-7-5-13(6-8-14)12-27-21-25-18-10-9-15(11-19(18)28-21)24-20(26)16-3-1-2-4-17(16)23/h1-11H,12H2,(H,24,26)