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

Systemtic Name: 4-chloranyl-N-[(4-chloranyl-3-nitro-phenyl)carbamothioyl]-3-nitro-benzamide Openeye Name: 4-chloro-N-[(4-chloro-3-nitro-phenyl)carbamothioyl]-3-nitro-benzamide CAS Name: 4-chloro-N-[(4-chloro-3-nitroanilino)-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[(4-chloro-3-nitrophenyl)carbamothioyl]-3-nitrobenzamide Traditional Name: 4-chloro-N-[(4-chloro-3-nitro-phenyl)thiocarbamoyl]-3-nitro-benzamide Formula: C14H8Cl2N4O5S MolecularWeight: 415.20812

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H8Cl2N4O5S/c15-9-3-1-7(5-11(9)19(22)23)13(21)18-14(26)17-8-2-4-10(16)12(6-8)20(24)25/h1-6H,(H2,17,18,21,26)