5-bromanyl-2-methoxy-3-methyl-N-[(5-nitro-2-oxidanyl-phenyl)carbamothioyl]benzamide

Systemtic Name: 5-bromanyl-2-methoxy-3-methyl-N-[(5-nitro-2-oxidanyl-phenyl)carbamothioyl]benzamide Openeye Name: 5-bromo-N-[(2-hydroxy-5-nitro-phenyl)carbamothioyl]-2-methoxy-3-methyl-benzamide CAS Name: 5-bromo-N-[(2-hydroxy-5-nitroanilino)-sulfanylidenemethyl]-2-methoxy-3-methylbenzamide IUPAC Name: 5-bromo-N-[(2-hydroxy-5-nitrophenyl)carbamothioyl]-2-methoxy-3-methylbenzamide Traditional Name: 5-bromo-N-[(2-hydroxy-5-nitro-phenyl)thiocarbamoyl]-2-methoxy-3-methyl-benzamide Formula: C16H14BrN3O5S MolecularWeight: 440.26846

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)Br)C(=O)NC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])O)OC

Isomeric SMILES

CC1=C(C(=CC(=C1)Br)C(=O)NC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])O)OC

InChI

InChI=1S/C16H14BrN3O5S/c1-8-5-9(17)6-11(14(8)25-2)15(22)19-16(26)18-12-7-10(20(23)24)3-4-13(12)21/h3-7,21H,1-2H3,(H2,18,19,22,26)