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

Systemtic Name: 3-bromanyl-4-methoxy-N-[(5-nitro-2-oxidanyl-phenyl)carbamothioyl]benzamide Openeye Name: 3-bromo-N-[(2-hydroxy-5-nitro-phenyl)carbamothioyl]-4-methoxy-benzamide CAS Name: 3-bromo-N-[(2-hydroxy-5-nitroanilino)-sulfanylidenemethyl]-4-methoxybenzamide IUPAC Name: 3-bromo-N-[(2-hydroxy-5-nitrophenyl)carbamothioyl]-4-methoxybenzamide Traditional Name: 3-bromo-N-[(2-hydroxy-5-nitro-phenyl)thiocarbamoyl]-4-methoxy-benzamide Formula: C15H12BrN3O5S MolecularWeight: 426.24188

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H12BrN3O5S/c1-24-13-5-2-8(6-10(13)16)14(21)18-15(25)17-11-7-9(19(22)23)3-4-12(11)20/h2-7,20H,1H3,(H2,17,18,21,25)