N-[[2-(4-chloranyl-3,5-dimethyl-phenoxy)ethanoylamino]carbamothioyl]-3-nitro-benzamide

Systemtic Name: N-[[2-(4-chloranyl-3,5-dimethyl-phenoxy)ethanoylamino]carbamothioyl]-3-nitro-benzamide Openeye Name: N-[[[2-(4-chloro-3,5-dimethyl-phenoxy)acetyl]amino]carbamothioyl]-3-nitro-benzamide CAS Name: N-[[[2-(4-chloro-3,5-dimethylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: N-[[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]carbamothioyl]-3-nitrobenzamide Traditional Name: N-[[[2-(4-chloro-3,5-dimethyl-phenoxy)acetyl]amino]thiocarbamoyl]-3-nitro-benzamide Formula: C18H17ClN4O5S MolecularWeight: 436.86938

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1Cl)C)OCC(=O)NNC(=S)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1Cl)C)OCC(=O)NNC(=S)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H17ClN4O5S/c1-10-6-14(7-11(2)16(10)19)28-9-15(24)21-22-18(29)20-17(25)12-4-3-5-13(8-12)23(26)27/h3-8H,9H2,1-2H3,(H,21,24)(H2,20,22,25,29)