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

Systemtic Name: 4-chloranyl-3-nitro-N-[(3-nitrophenyl)carbamothioyl]benzamide Openeye Name: 4-chloro-3-nitro-N-[(3-nitrophenyl)carbamothioyl]benzamide CAS Name: 4-chloro-3-nitro-N-[(3-nitroanilino)-sulfanylidenemethyl]benzamide IUPAC Name: 4-chloro-3-nitro-N-[(3-nitrophenyl)carbamothioyl]benzamide Traditional Name: 4-chloro-3-nitro-N-[(3-nitrophenyl)thiocarbamoyl]benzamide Formula: C14H9ClN4O5S MolecularWeight: 380.76306

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H9ClN4O5S/c15-11-5-4-8(6-12(11)19(23)24)13(20)17-14(25)16-9-2-1-3-10(7-9)18(21)22/h1-7H,(H2,16,17,20,25)