4-chloranyl-N-[(4-methoxy-2-nitro-phenyl)carbamothioyl]-3-nitro-benzamide

Systemtic Name: 4-chloranyl-N-[(4-methoxy-2-nitro-phenyl)carbamothioyl]-3-nitro-benzamide Openeye Name: 4-chloro-N-[(4-methoxy-2-nitro-phenyl)carbamothioyl]-3-nitro-benzamide CAS Name: 4-chloro-N-[(4-methoxy-2-nitroanilino)-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[(4-methoxy-2-nitrophenyl)carbamothioyl]-3-nitrobenzamide Traditional Name: 4-chloro-N-[(4-methoxy-2-nitro-phenyl)thiocarbamoyl]-3-nitro-benzamide Formula: C15H11ClN4O6S MolecularWeight: 410.78904

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC(=S)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)NC(=S)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C15H11ClN4O6S/c1-26-9-3-5-11(13(7-9)20(24)25)17-15(27)18-14(21)8-2-4-10(16)12(6-8)19(22)23/h2-7H,1H3,(H2,17,18,21,27)