N-[[2-[2,4-bis(chloranyl)phenoxy]propanoylamino]carbamothioyl]-3-nitro-benzamide

Systemtic Name: N-[[2-[2,4-bis(chloranyl)phenoxy]propanoylamino]carbamothioyl]-3-nitro-benzamide Openeye Name: N-[[2-(2,4-dichlorophenoxy)propanoylamino]carbamothioyl]-3-nitro-benzamide CAS Name: N-[[[2-(2,4-dichlorophenoxy)-1-oxopropyl]hydrazo]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: N-[[2-(2,4-dichlorophenoxy)propanoylamino]carbamothioyl]-3-nitrobenzamide Traditional Name: N-[[2-(2,4-dichlorophenoxy)propanoylamino]thiocarbamoyl]-3-nitro-benzamide Formula: C17H14Cl2N4O5S MolecularWeight: 457.28786

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NNC(=S)NC(=O)C1=CC(=CC=C1)[N+](=O)[O-])OC2=C(C=C(C=C2)Cl)Cl

Isomeric SMILES

CC(C(=O)NNC(=S)NC(=O)C1=CC(=CC=C1)[N+](=O)[O-])OC2=C(C=C(C=C2)Cl)Cl

InChI

InChI=1S/C17H14Cl2N4O5S/c1-9(28-14-6-5-11(18)8-13(14)19)15(24)21-22-17(29)20-16(25)10-3-2-4-12(7-10)23(26)27/h2-9H,1H3,(H,21,24)(H2,20,22,25,29)