N-(2-methoxyethylcarbamothioyl)-3,5-dinitro-benzamide

Systemtic Name: N-(2-methoxyethylcarbamothioyl)-3,5-dinitro-benzamide Openeye Name: N-(2-methoxyethylcarbamothioyl)-3,5-dinitro-benzamide CAS Name: N-[(2-methoxyethylamino)-sulfanylidenemethyl]-3,5-dinitrobenzamide IUPAC Name: N-(2-methoxyethylcarbamothioyl)-3,5-dinitrobenzamide Traditional Name: N-(2-methoxyethylthiocarbamoyl)-3,5-dinitro-benzamide Formula: C11H12N4O6S MolecularWeight: 328.30118

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC(=S)NC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COCCNC(=S)NC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C11H12N4O6S/c1-21-3-2-12-11(22)13-10(16)7-4-8(14(17)18)6-9(5-7)15(19)20/h4-6H,2-3H2,1H3,(H2,12,13,16,22)