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

Systemtic Name: 4-methoxy-N-[(4-methoxy-3-nitro-phenyl)carbamothioyl]-3-nitro-benzamide Openeye Name: 4-methoxy-N-[(4-methoxy-3-nitro-phenyl)carbamothioyl]-3-nitro-benzamide CAS Name: 4-methoxy-N-[(4-methoxy-3-nitroanilino)-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: 4-methoxy-N-[(4-methoxy-3-nitrophenyl)carbamothioyl]-3-nitrobenzamide Traditional Name: 4-methoxy-N-[(4-methoxy-3-nitro-phenyl)thiocarbamoyl]-3-nitro-benzamide Formula: C16H14N4O7S MolecularWeight: 406.36996

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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)OC)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C16H14N4O7S/c1-26-13-5-3-9(7-11(13)19(22)23)15(21)18-16(28)17-10-4-6-14(27-2)12(8-10)20(24)25/h3-8H,1-2H3,(H2,17,18,21,28)