N-[[2-(2,3-dimethylphenoxy)ethanoylamino]carbamothioyl]-3,5-dinitro-benzamide

Systemtic Name: N-[[2-(2,3-dimethylphenoxy)ethanoylamino]carbamothioyl]-3,5-dinitro-benzamide Openeye Name: N-[[[2-(2,3-dimethylphenoxy)acetyl]amino]carbamothioyl]-3,5-dinitro-benzamide CAS Name: N-[[[2-(2,3-dimethylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-3,5-dinitrobenzamide IUPAC Name: N-[[[2-(2,3-dimethylphenoxy)acetyl]amino]carbamothioyl]-3,5-dinitrobenzamide Traditional Name: N-[[[2-(2,3-dimethylphenoxy)acetyl]amino]thiocarbamoyl]-3,5-dinitro-benzamide Formula: C18H17N5O7S MolecularWeight: 447.42188

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)OCC(=O)NNC(=S)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C(=CC=C1)OCC(=O)NNC(=S)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])C

InChI

InChI=1S/C18H17N5O7S/c1-10-4-3-5-15(11(10)2)30-9-16(24)20-21-18(31)19-17(25)12-6-13(22(26)27)8-14(7-12)23(28)29/h3-8H,9H2,1-2H3,(H,20,24)(H2,19,21,25,31)