N-(but-3-enylcarbamothioyl)-2-nitro-benzamide

Systemtic Name: N-(but-3-enylcarbamothioyl)-2-nitro-benzamide Openeye Name: N-(but-3-enylcarbamothioyl)-2-nitro-benzamide CAS Name: N-[(but-3-enylamino)-sulfanylidenemethyl]-2-nitrobenzamide IUPAC Name: N-(but-3-enylcarbamothioyl)-2-nitrobenzamide Traditional Name: N-(but-3-enylthiocarbamoyl)-2-nitro-benzamide Formula: C12H13N3O3S MolecularWeight: 279.31492

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13N3O3S/c1-2-3-8-13-12(19)14-11(16)9-6-4-5-7-10(9)15(17)18/h2,4-7H,1,3,8H2,(H2,13,14,16,19)