N-(furan-2-ylmethylcarbamothioyl)-3,5-dinitro-benzamide

Systemtic Name: N-(furan-2-ylmethylcarbamothioyl)-3,5-dinitro-benzamide Openeye Name: N-(2-furylmethylcarbamothioyl)-3,5-dinitro-benzamide CAS Name: N-[(2-furanylmethylamino)-sulfanylidenemethyl]-3,5-dinitrobenzamide IUPAC Name: N-(furan-2-ylmethylcarbamothioyl)-3,5-dinitrobenzamide Traditional Name: N-(2-furfurylthiocarbamoyl)-3,5-dinitro-benzamide Formula: C13H10N4O6S MolecularWeight: 350.3067

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H10N4O6S/c18-12(15-13(24)14-7-11-2-1-3-23-11)8-4-9(16(19)20)6-10(5-8)17(21)22/h1-6H,7H2,(H2,14,15,18,24)