4-chloranyl-N-[(4,6-dimethylpyrimidin-2-yl)carbamothioyl]-2-fluoranyl-benzamide

Systemtic Name: 4-chloranyl-N-[(4,6-dimethylpyrimidin-2-yl)carbamothioyl]-2-fluoranyl-benzamide Openeye Name: 4-chloro-N-[(4,6-dimethylpyrimidin-2-yl)carbamothioyl]-2-fluoro-benzamide CAS Name: 4-chloro-N-[[(4,6-dimethyl-2-pyrimidinyl)amino]-sulfanylidenemethyl]-2-fluorobenzamide IUPAC Name: 4-chloro-N-[(4,6-dimethylpyrimidin-2-yl)carbamothioyl]-2-fluorobenzamide Traditional Name: 4-chloro-N-[(4,6-dimethylpyrimidin-2-yl)thiocarbamoyl]-2-fluoro-benzamide Formula: C14H12ClFN4OS MolecularWeight: 338.787683

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NC(=S)NC(=O)C2=C(C=C(C=C2)Cl)F)C

Isomeric SMILES

CC1=CC(=NC(=N1)NC(=S)NC(=O)C2=C(C=C(C=C2)Cl)F)C

InChI

InChI=1S/C14H12ClFN4OS/c1-7-5-8(2)18-13(17-7)20-14(22)19-12(21)10-4-3-9(15)6-11(10)16/h3-6H,1-2H3,(H2,17,18,19,20,21,22)