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

Systemtic Name: 3-bromanyl-N-[(2-fluoranyl-5-nitro-phenyl)carbamothioyl]-4-methyl-benzamide Openeye Name: 3-bromo-N-[(2-fluoro-5-nitro-phenyl)carbamothioyl]-4-methyl-benzamide CAS Name: 3-bromo-N-[(2-fluoro-5-nitroanilino)-sulfanylidenemethyl]-4-methylbenzamide IUPAC Name: 3-bromo-N-[(2-fluoro-5-nitrophenyl)carbamothioyl]-4-methylbenzamide Traditional Name: 3-bromo-N-[(2-fluoro-5-nitro-phenyl)thiocarbamoyl]-4-methyl-benzamide Formula: C15H11BrFN3O3S MolecularWeight: 412.233543

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H11BrFN3O3S/c1-8-2-3-9(6-11(8)16)14(21)19-15(24)18-13-7-10(20(22)23)4-5-12(13)17/h2-7H,1H3,(H2,18,19,21,24)