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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13BrFN3O4S/c1-8-5-9(17)6-11(14(8)25-2)15(22)20-16(26)19-10-3-4-12(18)13(7-10)21(23)24/h3-7H,1-2H3,(H2,19,20,22,26)