N-[(3-chloranyl-5-nitro-2-oxidanyl-phenyl)carbamothioyl]-2,6-dimethoxy-benzamide

Systemtic Name: N-[(3-chloranyl-5-nitro-2-oxidanyl-phenyl)carbamothioyl]-2,6-dimethoxy-benzamide Openeye Name: N-[(3-chloro-2-hydroxy-5-nitro-phenyl)carbamothioyl]-2,6-dimethoxy-benzamide CAS Name: N-[(3-chloro-2-hydroxy-5-nitroanilino)-sulfanylidenemethyl]-2,6-dimethoxybenzamide IUPAC Name: N-[(3-chloro-2-hydroxy-5-nitrophenyl)carbamothioyl]-2,6-dimethoxybenzamide Traditional Name: N-[(3-chloro-2-hydroxy-5-nitro-phenyl)thiocarbamoyl]-2,6-dimethoxy-benzamide Formula: C16H14ClN3O6S MolecularWeight: 411.81686

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC=C1)OC)C(=O)NC(=S)NC2=CC(=CC(=C2O)Cl)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C(=CC=C1)OC)C(=O)NC(=S)NC2=CC(=CC(=C2O)Cl)[N+](=O)[O-]

InChI

InChI=1S/C16H14ClN3O6S/c1-25-11-4-3-5-12(26-2)13(11)15(22)19-16(27)18-10-7-8(20(23)24)6-9(17)14(10)21/h3-7,21H,1-2H3,(H2,18,19,22,27)