N-[[(4-chloranyl-3-nitro-phenyl)carbonylamino]carbamothioyl]-2-nitro-benzamide

Systemtic Name: N-[[(4-chloranyl-3-nitro-phenyl)carbonylamino]carbamothioyl]-2-nitro-benzamide Openeye Name: N-[[(4-chloro-3-nitro-benzoyl)amino]carbamothioyl]-2-nitro-benzamide CAS Name: N-[[[(4-chloro-3-nitrophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-2-nitrobenzamide IUPAC Name: N-[[(4-chloro-3-nitrobenzoyl)amino]carbamothioyl]-2-nitrobenzamide Traditional Name: N-[[(4-chloro-3-nitro-benzoyl)amino]thiocarbamoyl]-2-nitro-benzamide Formula: C15H10ClN5O6S MolecularWeight: 423.7878

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NC(=S)NNC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NC(=S)NNC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C15H10ClN5O6S/c16-10-6-5-8(7-12(10)21(26)27)13(22)18-19-15(28)17-14(23)9-3-1-2-4-11(9)20(24)25/h1-7H,(H,18,22)(H2,17,19,23,28)