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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)Cl)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)Cl)[N+](=O)[O-])[N+](=O)[O-]

InChI

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