N-[(4-chloranyl-2-nitro-phenyl)carbamothioyl]-2-nitro-benzamide

Systemtic Name: N-[(4-chloranyl-2-nitro-phenyl)carbamothioyl]-2-nitro-benzamide Openeye Name: N-[(4-chloro-2-nitro-phenyl)carbamothioyl]-2-nitro-benzamide CAS Name: N-[(4-chloro-2-nitroanilino)-sulfanylidenemethyl]-2-nitrobenzamide IUPAC Name: N-[(4-chloro-2-nitrophenyl)carbamothioyl]-2-nitrobenzamide Traditional Name: N-[(4-chloro-2-nitro-phenyl)thiocarbamoyl]-2-nitro-benzamide Formula: C14H9ClN4O5S MolecularWeight: 380.76306

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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