3-nitro-N-(propylcarbamothioyl)benzamide

Systemtic Name: 3-nitro-N-(propylcarbamothioyl)benzamide Openeye Name: 3-nitro-N-(propylcarbamothioyl)benzamide CAS Name: 3-nitro-N-[propylamino(sulfanylidene)methyl]benzamide IUPAC Name: 3-nitro-N-(propylcarbamothioyl)benzamide Traditional Name: 3-nitro-N-(propylthiocarbamoyl)benzamide Formula: C11H13N3O3S MolecularWeight: 267.30422

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=S)NC(=O)C1=CC(=CC=C1)[N+](=O)[O-]

Isomeric SMILES

CCCNC(=S)NC(=O)C1=CC(=CC=C1)[N+](=O)[O-]

InChI

InChI=1S/C11H13N3O3S/c1-2-6-12-11(18)13-10(15)8-4-3-5-9(7-8)14(16)17/h3-5,7H,2,6H2,1H3,(H2,12,13,15,18)