2-methyl-3-nitro-N-(oxolan-2-ylmethylcarbamothioyl)benzamide

Systemtic Name: 2-methyl-3-nitro-N-(oxolan-2-ylmethylcarbamothioyl)benzamide Openeye Name: 2-methyl-3-nitro-N-(tetrahydrofuran-2-ylmethylcarbamothioyl)benzamide CAS Name: 2-methyl-3-nitro-N-[(2-oxolanylmethylamino)-sulfanylidenemethyl]benzamide IUPAC Name: 2-methyl-3-nitro-N-(oxolan-2-ylmethylcarbamothioyl)benzamide Traditional Name: 2-methyl-3-nitro-N-(tetrahydrofurfurylthiocarbamoyl)benzamide Formula: C14H17N3O4S MolecularWeight: 323.36748

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC(=S)NCC2CCCO2

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC(=S)NCC2CCCO2

InChI

InChI=1S/C14H17N3O4S/c1-9-11(5-2-6-12(9)17(19)20)13(18)16-14(22)15-8-10-4-3-7-21-10/h2,5-6,10H,3-4,7-8H2,1H3,(H2,15,16,18,22)