N-(furan-2-ylmethylcarbamothioyl)-3-nitro-benzamide

Systemtic Name: N-(furan-2-ylmethylcarbamothioyl)-3-nitro-benzamide Openeye Name: N-(2-furylmethylcarbamothioyl)-3-nitro-benzamide CAS Name: N-[(2-furanylmethylamino)-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: N-(furan-2-ylmethylcarbamothioyl)-3-nitrobenzamide Traditional Name: N-(2-furfurylthiocarbamoyl)-3-nitro-benzamide Formula: C13H11N3O4S MolecularWeight: 305.30914

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NC(=S)NCC2=CC=CO2

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NC(=S)NCC2=CC=CO2

InChI

InChI=1S/C13H11N3O4S/c17-12(9-3-1-4-10(7-9)16(18)19)15-13(21)14-8-11-5-2-6-20-11/h1-7H,8H2,(H2,14,15,17,21)