N-[(4-chloranyl-2-nitro-phenyl)carbamothioyl]-3,5-dinitro-benzamide

Systemtic Name: N-[(4-chloranyl-2-nitro-phenyl)carbamothioyl]-3,5-dinitro-benzamide Openeye Name: N-[(4-chloro-2-nitro-phenyl)carbamothioyl]-3,5-dinitro-benzamide CAS Name: N-[(4-chloro-2-nitroanilino)-sulfanylidenemethyl]-3,5-dinitrobenzamide IUPAC Name: N-[(4-chloro-2-nitrophenyl)carbamothioyl]-3,5-dinitrobenzamide Traditional Name: N-[(4-chloro-2-nitro-phenyl)thiocarbamoyl]-3,5-dinitro-benzamide Formula: C14H8ClN5O7S MolecularWeight: 425.76062

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Cl)[N+](=O)[O-])NC(=S)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=C(C=C1Cl)[N+](=O)[O-])NC(=S)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H8ClN5O7S/c15-8-1-2-11(12(5-8)20(26)27)16-14(28)17-13(21)7-3-9(18(22)23)6-10(4-7)19(24)25/h1-6H,(H2,16,17,21,28)