N-[[(4-chloranyl-3-nitro-phenyl)carbonylamino]carbamothioyl]-2-phenoxy-ethanamide

Systemtic Name: N-[[(4-chloranyl-3-nitro-phenyl)carbonylamino]carbamothioyl]-2-phenoxy-ethanamide Openeye Name: N-[[(4-chloro-3-nitro-benzoyl)amino]carbamothioyl]-2-phenoxy-acetamide CAS Name: N-[[[(4-chloro-3-nitrophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-2-phenoxyacetamide IUPAC Name: N-[[(4-chloro-3-nitrobenzoyl)amino]carbamothioyl]-2-phenoxyacetamide Traditional Name: N-[[(4-chloro-3-nitro-benzoyl)amino]thiocarbamoyl]-2-phenoxy-acetamide Formula: C16H13ClN4O5S MolecularWeight: 408.81622

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13ClN4O5S/c17-12-7-6-10(8-13(12)21(24)25)15(23)19-20-16(27)18-14(22)9-26-11-4-2-1-3-5-11/h1-8H,9H2,(H,19,23)(H2,18,20,22,27)