3-bromanyl-4-ethoxy-N-[(5-nitro-2-oxidanyl-phenyl)carbamothioyl]benzamide

Systemtic Name: 3-bromanyl-4-ethoxy-N-[(5-nitro-2-oxidanyl-phenyl)carbamothioyl]benzamide Openeye Name: 3-bromo-4-ethoxy-N-[(2-hydroxy-5-nitro-phenyl)carbamothioyl]benzamide CAS Name: 3-bromo-4-ethoxy-N-[(2-hydroxy-5-nitroanilino)-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-ethoxy-N-[(2-hydroxy-5-nitrophenyl)carbamothioyl]benzamide Traditional Name: 3-bromo-4-ethoxy-N-[(2-hydroxy-5-nitro-phenyl)thiocarbamoyl]benzamide Formula: C16H14BrN3O5S MolecularWeight: 440.26846

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])O)Br

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])O)Br

InChI

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