2-nitro-N-(oxolan-2-ylmethylcarbamothioyl)benzamide

Systemtic Name: 2-nitro-N-(oxolan-2-ylmethylcarbamothioyl)benzamide Openeye Name: 2-nitro-N-(tetrahydrofuran-2-ylmethylcarbamothioyl)benzamide CAS Name: 2-nitro-N-[(2-oxolanylmethylamino)-sulfanylidenemethyl]benzamide IUPAC Name: 2-nitro-N-(oxolan-2-ylmethylcarbamothioyl)benzamide Traditional Name: 2-nitro-N-(tetrahydrofurfurylthiocarbamoyl)benzamide Formula: C13H15N3O4S MolecularWeight: 309.3409

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC(=S)NC(=O)C2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

C1CC(OC1)CNC(=S)NC(=O)C2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C13H15N3O4S/c17-12(10-5-1-2-6-11(10)16(18)19)15-13(21)14-8-9-4-3-7-20-9/h1-2,5-6,9H,3-4,7-8H2,(H2,14,15,17,21)