N-(2-morpholin-4-ylethylcarbamothioyl)-3-nitro-benzamide

Systemtic Name: N-(2-morpholin-4-ylethylcarbamothioyl)-3-nitro-benzamide Openeye Name: N-(2-morpholinoethylcarbamothioyl)-3-nitro-benzamide CAS Name: N-[[2-(4-morpholinyl)ethylamino]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: N-(2-morpholin-4-ylethylcarbamothioyl)-3-nitrobenzamide Traditional Name: N-(2-morpholinoethylthiocarbamoyl)-3-nitro-benzamide Formula: C14H18N4O4S MolecularWeight: 338.38212

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCNC(=S)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1CCNC(=S)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H18N4O4S/c19-13(11-2-1-3-12(10-11)18(20)21)16-14(23)15-4-5-17-6-8-22-9-7-17/h1-3,10H,4-9H2,(H2,15,16,19,23)