N-[(5-chloranyl-2-oxidanyl-phenyl)carbamothioyl]-3,5-dinitro-benzamide

Systemtic Name: N-[(5-chloranyl-2-oxidanyl-phenyl)carbamothioyl]-3,5-dinitro-benzamide Openeye Name: N-[(5-chloro-2-hydroxy-phenyl)carbamothioyl]-3,5-dinitro-benzamide CAS Name: N-[(5-chloro-2-hydroxyanilino)-sulfanylidenemethyl]-3,5-dinitrobenzamide IUPAC Name: N-[(5-chloro-2-hydroxyphenyl)carbamothioyl]-3,5-dinitrobenzamide Traditional Name: N-[(5-chloro-2-hydroxy-phenyl)thiocarbamoyl]-3,5-dinitro-benzamide Formula: C14H9ClN4O6S MolecularWeight: 396.76246

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Cl)NC(=S)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])O

Isomeric SMILES

C1=CC(=C(C=C1Cl)NC(=S)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])O

InChI

InChI=1S/C14H9ClN4O6S/c15-8-1-2-12(20)11(5-8)16-14(26)17-13(21)7-3-9(18(22)23)6-10(4-7)19(24)25/h1-6,20H,(H2,16,17,21,26)