5-bromanyl-N-[(4-chloranyl-2-nitro-phenyl)carbamothioyl]-2-methoxy-benzamide

Systemtic Name: 5-bromanyl-N-[(4-chloranyl-2-nitro-phenyl)carbamothioyl]-2-methoxy-benzamide Openeye Name: 5-bromo-N-[(4-chloro-2-nitro-phenyl)carbamothioyl]-2-methoxy-benzamide CAS Name: 5-bromo-N-[(4-chloro-2-nitroanilino)-sulfanylidenemethyl]-2-methoxybenzamide IUPAC Name: 5-bromo-N-[(4-chloro-2-nitrophenyl)carbamothioyl]-2-methoxybenzamide Traditional Name: 5-bromo-N-[(4-chloro-2-nitro-phenyl)thiocarbamoyl]-2-methoxy-benzamide Formula: C15H11BrClN3O4S MolecularWeight: 444.68754

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H11BrClN3O4S/c1-24-13-5-2-8(16)6-10(13)14(21)19-15(25)18-11-4-3-9(17)7-12(11)20(22)23/h2-7H,1H3,(H2,18,19,21,25)