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

Systemtic Name: 3-nitro-N-(thiophen-2-ylmethylcarbamothioyl)benzamide Openeye Name: 3-nitro-N-(2-thienylmethylcarbamothioyl)benzamide CAS Name: 3-nitro-N-[sulfanylidene-(thiophen-2-ylmethylamino)methyl]benzamide IUPAC Name: 3-nitro-N-(thiophen-2-ylmethylcarbamothioyl)benzamide Traditional Name: 3-nitro-N-(2-thenylthiocarbamoyl)benzamide Formula: C13H11N3O3S2 MolecularWeight: 321.37474

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NC(=S)NCC2=CC=CS2

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NC(=S)NCC2=CC=CS2

InChI

InChI=1S/C13H11N3O3S2/c17-12(9-3-1-4-10(7-9)16(18)19)15-13(20)14-8-11-5-2-6-21-11/h1-7H,8H2,(H2,14,15,17,20)