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

Systemtic Name: N-[[2-(4-chloranyl-3-methyl-phenoxy)ethanoylamino]carbamothioyl]-3,5-dinitro-benzamide Openeye Name: N-[[[2-(4-chloro-3-methyl-phenoxy)acetyl]amino]carbamothioyl]-3,5-dinitro-benzamide CAS Name: N-[[[2-(4-chloro-3-methylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-3,5-dinitrobenzamide IUPAC Name: N-[[[2-(4-chloro-3-methylphenoxy)acetyl]amino]carbamothioyl]-3,5-dinitrobenzamide Traditional Name: N-[[[2-(4-chloro-3-methyl-phenoxy)acetyl]amino]thiocarbamoyl]-3,5-dinitro-benzamide Formula: C17H14ClN5O7S MolecularWeight: 467.84036

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-])Cl

Isomeric SMILES

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

InChI

InChI=1S/C17H14ClN5O7S/c1-9-4-13(2-3-14(9)18)30-8-15(24)20-21-17(31)19-16(25)10-5-11(22(26)27)7-12(6-10)23(28)29/h2-7H,8H2,1H3,(H,20,24)(H2,19,21,25,31)