2-(4-bromanyl-3-methyl-phenoxy)-N-[(2-fluoranyl-5-nitro-phenyl)carbamothioyl]ethanamide

Systemtic Name: 2-(4-bromanyl-3-methyl-phenoxy)-N-[(2-fluoranyl-5-nitro-phenyl)carbamothioyl]ethanamide Openeye Name: 2-(4-bromo-3-methyl-phenoxy)-N-[(2-fluoro-5-nitro-phenyl)carbamothioyl]acetamide CAS Name: 2-(4-bromo-3-methylphenoxy)-N-[(2-fluoro-5-nitroanilino)-sulfanylidenemethyl]acetamide IUPAC Name: 2-(4-bromo-3-methylphenoxy)-N-[(2-fluoro-5-nitrophenyl)carbamothioyl]acetamide Traditional Name: 2-(4-bromo-3-methyl-phenoxy)-N-[(2-fluoro-5-nitro-phenyl)thiocarbamoyl]acetamide Formula: C16H13BrFN3O4S MolecularWeight: 442.259523

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13BrFN3O4S/c1-9-6-11(3-4-12(9)17)25-8-15(22)20-16(26)19-14-7-10(21(23)24)2-5-13(14)18/h2-7H,8H2,1H3,(H2,19,20,22,26)