N-[(4-methoxyphenyl)methylcarbamothioyl]-3,5-dinitro-benzamide

Systemtic Name: N-[(4-methoxyphenyl)methylcarbamothioyl]-3,5-dinitro-benzamide Openeye Name: N-[(4-methoxyphenyl)methylcarbamothioyl]-3,5-dinitro-benzamide CAS Name: N-[[(4-methoxyphenyl)methylamino]-sulfanylidenemethyl]-3,5-dinitrobenzamide IUPAC Name: N-[(4-methoxyphenyl)methylcarbamothioyl]-3,5-dinitrobenzamide Traditional Name: 3,5-dinitro-N-(p-anisylthiocarbamoyl)benzamide Formula: C16H14N4O6S MolecularWeight: 390.37056

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14N4O6S/c1-26-14-4-2-10(3-5-14)9-17-16(27)18-15(21)11-6-12(19(22)23)8-13(7-11)20(24)25/h2-8H,9H2,1H3,(H2,17,18,21,27)