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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NC(=S)NNC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)NC(=S)NNC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])[N+](=O)[O-]

InChI

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