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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NC(=S)NC2=CC(=C(C=C2)Cl)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)NC(=S)NC2=CC(=C(C=C2)Cl)[N+](=O)[O-])[N+](=O)[O-]

InChI

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