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

Systemtic Name: 2-(2-bromanyl-4-methyl-phenoxy)-N-[(2-fluoranyl-5-nitro-phenyl)carbamothioyl]ethanamide Openeye Name: 2-(2-bromo-4-methyl-phenoxy)-N-[(2-fluoro-5-nitro-phenyl)carbamothioyl]acetamide CAS Name: 2-(2-bromo-4-methylphenoxy)-N-[(2-fluoro-5-nitroanilino)-sulfanylidenemethyl]acetamide IUPAC Name: 2-(2-bromo-4-methylphenoxy)-N-[(2-fluoro-5-nitrophenyl)carbamothioyl]acetamide Traditional Name: 2-(2-bromo-4-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=CC(=C(C=C1)OCC(=O)NC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])F)Br

Isomeric SMILES

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

InChI

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