S-methyl N-[5-bromanyl-4-fluoranyl-7-(3-fluoranylpyridin-2-yl)-1,3-benzothiazol-2-yl]carbamothioate

Systemtic Name: S-methyl N-[5-bromanyl-4-fluoranyl-7-(3-fluoranylpyridin-2-yl)-1,3-benzothiazol-2-yl]carbamothioate Openeye Name: S-methyl N-[5-bromo-4-fluoro-7-(3-fluoro-2-pyridyl)-1,3-benzothiazol-2-yl]carbamothioate CAS Name: N-[5-bromo-4-fluoro-7-(3-fluoro-2-pyridinyl)-1,3-benzothiazol-2-yl]carbamothioic acid S-methyl ester IUPAC Name: S-methyl N-[5-bromo-4-fluoro-7-(3-fluoropyridin-2-yl)-1,3-benzothiazol-2-yl]carbamothioate Traditional Name: N-[5-bromo-4-fluoro-7-(3-fluoro-2-pyridyl)-1,3-benzothiazol-2-yl]thiocarbamic acid S-methyl ester Formula: C14H8BrF2N3OS2 MolecularWeight: 416.263626

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=O)NC1=NC2=C(S1)C(=CC(=C2F)Br)C3=C(C=CC=N3)F

Isomeric SMILES

CSC(=O)NC1=NC2=C(S1)C(=CC(=C2F)Br)C3=C(C=CC=N3)F

InChI

InChI=1S/C14H8BrF2N3OS2/c1-22-14(21)20-13-19-11-9(17)7(15)5-6(12(11)23-13)10-8(16)3-2-4-18-10/h2-5H,1H3,(H,19,20,21)