3-nitro-N-(pyrimidin-2-ylcarbamothioyl)benzamide

Systemtic Name: 3-nitro-N-(pyrimidin-2-ylcarbamothioyl)benzamide Openeye Name: 3-nitro-N-(pyrimidin-2-ylcarbamothioyl)benzamide CAS Name: 3-nitro-N-[(2-pyrimidinylamino)-sulfanylidenemethyl]benzamide IUPAC Name: 3-nitro-N-(pyrimidin-2-ylcarbamothioyl)benzamide Traditional Name: 3-nitro-N-(2-pyrimidylthiocarbamoyl)benzamide Formula: C12H9N5O3S MolecularWeight: 303.29656

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NC(=S)NC2=NC=CC=N2

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NC(=S)NC2=NC=CC=N2

InChI

InChI=1S/C12H9N5O3S/c18-10(8-3-1-4-9(7-8)17(19)20)15-12(21)16-11-13-5-2-6-14-11/h1-7H,(H2,13,14,15,16,18,21)