N-(furan-2-ylmethylcarbamothioyl)-4-methyl-3-nitro-benzamide

Systemtic Name: N-(furan-2-ylmethylcarbamothioyl)-4-methyl-3-nitro-benzamide Openeye Name: N-(2-furylmethylcarbamothioyl)-4-methyl-3-nitro-benzamide CAS Name: N-[(2-furanylmethylamino)-sulfanylidenemethyl]-4-methyl-3-nitrobenzamide IUPAC Name: N-(furan-2-ylmethylcarbamothioyl)-4-methyl-3-nitrobenzamide Traditional Name: N-(2-furfurylthiocarbamoyl)-4-methyl-3-nitro-benzamide Formula: C14H13N3O4S MolecularWeight: 319.33572

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC(=S)NCC2=CC=CO2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC(=S)NCC2=CC=CO2)[N+](=O)[O-]

InChI

InChI=1S/C14H13N3O4S/c1-9-4-5-10(7-12(9)17(19)20)13(18)16-14(22)15-8-11-3-2-6-21-11/h2-7H,8H2,1H3,(H2,15,16,18,22)