5-bromanyl-2-chloranyl-N-[[(6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)amino]carbamothioyl]benzamide

Systemtic Name: 5-bromanyl-2-chloranyl-N-[[(6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)amino]carbamothioyl]benzamide Openeye Name: 5-bromo-2-chloro-N-[[(6-methyl-4-oxo-1H-pyrimidin-2-yl)amino]carbamothioyl]benzamide CAS Name: 5-bromo-2-chloro-N-[[(6-methyl-4-oxo-1H-pyrimidin-2-yl)hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-2-chloro-N-[[(6-methyl-4-oxo-1H-pyrimidin-2-yl)amino]carbamothioyl]benzamide Traditional Name: 5-bromo-2-chloro-N-[[(4-keto-6-methyl-1H-pyrimidin-2-yl)amino]thiocarbamoyl]benzamide Formula: C13H11BrClN5O2S MolecularWeight: 416.68074

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N=C(N1)NNC(=S)NC(=O)C2=C(C=CC(=C2)Br)Cl

Isomeric SMILES

CC1=CC(=O)N=C(N1)NNC(=S)NC(=O)C2=C(C=CC(=C2)Br)Cl

InChI

InChI=1S/C13H11BrClN5O2S/c1-6-4-10(21)17-12(16-6)19-20-13(23)18-11(22)8-5-7(14)2-3-9(8)15/h2-5H,1H3,(H2,16,17,19,21)(H2,18,20,22,23)