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

Systemtic Name: N-[(2-chloranyl-4-nitro-phenyl)carbamothioyl]-3,5-dimethoxy-benzamide Openeye Name: N-[(2-chloro-4-nitro-phenyl)carbamothioyl]-3,5-dimethoxy-benzamide CAS Name: N-[(2-chloro-4-nitroanilino)-sulfanylidenemethyl]-3,5-dimethoxybenzamide IUPAC Name: N-[(2-chloro-4-nitrophenyl)carbamothioyl]-3,5-dimethoxybenzamide Traditional Name: N-[(2-chloro-4-nitro-phenyl)thiocarbamoyl]-3,5-dimethoxy-benzamide Formula: C16H14ClN3O5S MolecularWeight: 395.81746

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C(=O)NC(=S)NC2=C(C=C(C=C2)[N+](=O)[O-])Cl)OC

Isomeric SMILES

COC1=CC(=CC(=C1)C(=O)NC(=S)NC2=C(C=C(C=C2)[N+](=O)[O-])Cl)OC

InChI

InChI=1S/C16H14ClN3O5S/c1-24-11-5-9(6-12(8-11)25-2)15(21)19-16(26)18-14-4-3-10(20(22)23)7-13(14)17/h3-8H,1-2H3,(H2,18,19,21,26)