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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)CSC2=NC3=C(S2)C=C(C=C3)NC(=O)C4=CC=C(C=C4)F

Isomeric SMILES

C1=CC(=CC(=C1)Br)CSC2=NC3=C(S2)C=C(C=C3)NC(=O)C4=CC=C(C=C4)F

InChI

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