5-bromanyl-N-[(4,6-dimethylpyrimidin-2-yl)carbamothioyl]-2-methoxy-3-methyl-benzamide

Systemtic Name: 5-bromanyl-N-[(4,6-dimethylpyrimidin-2-yl)carbamothioyl]-2-methoxy-3-methyl-benzamide Openeye Name: 5-bromo-N-[(4,6-dimethylpyrimidin-2-yl)carbamothioyl]-2-methoxy-3-methyl-benzamide CAS Name: 5-bromo-N-[[(4,6-dimethyl-2-pyrimidinyl)amino]-sulfanylidenemethyl]-2-methoxy-3-methylbenzamide IUPAC Name: 5-bromo-N-[(4,6-dimethylpyrimidin-2-yl)carbamothioyl]-2-methoxy-3-methylbenzamide Traditional Name: 5-bromo-N-[(4,6-dimethylpyrimidin-2-yl)thiocarbamoyl]-2-methoxy-3-methyl-benzamide Formula: C16H17BrN4O2S MolecularWeight: 409.30078

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NC(=S)NC(=O)C2=CC(=CC(=C2OC)C)Br)C

Isomeric SMILES

CC1=CC(=NC(=N1)NC(=S)NC(=O)C2=CC(=CC(=C2OC)C)Br)C

InChI

InChI=1S/C16H17BrN4O2S/c1-8-5-11(17)7-12(13(8)23-4)14(22)20-16(24)21-15-18-9(2)6-10(3)19-15/h5-7H,1-4H3,(H2,18,19,20,21,22,24)