N-(2-diethylaminoethylcarbamothioyl)-2-nitro-benzamide

Systemtic Name: N-(2-diethylaminoethylcarbamothioyl)-2-nitro-benzamide Openeye Name: N-(2-diethylaminoethylcarbamothioyl)-2-nitro-benzamide CAS Name: N-[(2-diethylaminoethylamino)-sulfanylidenemethyl]-2-nitrobenzamide IUPAC Name: N-(2-diethylaminoethylcarbamothioyl)-2-nitrobenzamide Traditional Name: N-(2-diethylaminoethylthiocarbamoyl)-2-nitro-benzamide Formula: C14H20N4O3S MolecularWeight: 324.3986

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N4O3S/c1-3-17(4-2)10-9-15-14(22)16-13(19)11-7-5-6-8-12(11)18(20)21/h5-8H,3-4,9-10H2,1-2H3,(H2,15,16,19,22)