4-ethoxy-3-nitro-N-[[2,4,5-tris(chloranyl)phenyl]carbamothioyl]benzamide

Systemtic Name: 4-ethoxy-3-nitro-N-[[2,4,5-tris(chloranyl)phenyl]carbamothioyl]benzamide Openeye Name: 4-ethoxy-3-nitro-N-[(2,4,5-trichlorophenyl)carbamothioyl]benzamide CAS Name: 4-ethoxy-3-nitro-N-[sulfanylidene-(2,4,5-trichloroanilino)methyl]benzamide IUPAC Name: 4-ethoxy-3-nitro-N-[(2,4,5-trichlorophenyl)carbamothioyl]benzamide Traditional Name: 4-ethoxy-3-nitro-N-[(2,4,5-trichlorophenyl)thiocarbamoyl]benzamide Formula: C16H12Cl3N3O4S MolecularWeight: 448.70818

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2Cl)Cl)Cl)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2Cl)Cl)Cl)[N+](=O)[O-]

InChI

InChI=1S/C16H12Cl3N3O4S/c1-2-26-14-4-3-8(5-13(14)22(24)25)15(23)21-16(27)20-12-7-10(18)9(17)6-11(12)19/h3-7H,2H2,1H3,(H2,20,21,23,27)