2-(2-bromanyl-4-methyl-phenoxy)-N-[(5-nitro-2-oxidanyl-phenyl)carbamothioyl]ethanamide

Systemtic Name: 2-(2-bromanyl-4-methyl-phenoxy)-N-[(5-nitro-2-oxidanyl-phenyl)carbamothioyl]ethanamide Openeye Name: 2-(2-bromo-4-methyl-phenoxy)-N-[(2-hydroxy-5-nitro-phenyl)carbamothioyl]acetamide CAS Name: 2-(2-bromo-4-methylphenoxy)-N-[(2-hydroxy-5-nitroanilino)-sulfanylidenemethyl]acetamide IUPAC Name: 2-(2-bromo-4-methylphenoxy)-N-[(2-hydroxy-5-nitrophenyl)carbamothioyl]acetamide Traditional Name: 2-(2-bromo-4-methyl-phenoxy)-N-[(2-hydroxy-5-nitro-phenyl)thiocarbamoyl]acetamide Formula: C16H14BrN3O5S MolecularWeight: 440.26846

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14BrN3O5S/c1-9-2-5-14(11(17)6-9)25-8-15(22)19-16(26)18-12-7-10(20(23)24)3-4-13(12)21/h2-7,21H,8H2,1H3,(H2,18,19,22,26)