N-(2-diethylaminoethylcarbamothioyl)-3-nitro-benzamide

Systemtic Name: N-(2-diethylaminoethylcarbamothioyl)-3-nitro-benzamide Openeye Name: N-(2-diethylaminoethylcarbamothioyl)-3-nitro-benzamide CAS Name: N-[(2-diethylaminoethylamino)-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: N-(2-diethylaminoethylcarbamothioyl)-3-nitrobenzamide Traditional Name: N-(2-diethylaminoethylthiocarbamoyl)-3-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)9-8-15-14(22)16-13(19)11-6-5-7-12(10-11)18(20)21/h5-7,10H,3-4,8-9H2,1-2H3,(H2,15,16,19,22)