N-[[(3-bromanyl-4-methoxy-phenyl)carbonylamino]carbamothioyl]-2-fluoranyl-benzamide

Systemtic Name: N-[[(3-bromanyl-4-methoxy-phenyl)carbonylamino]carbamothioyl]-2-fluoranyl-benzamide Openeye Name: N-[[(3-bromo-4-methoxy-benzoyl)amino]carbamothioyl]-2-fluoro-benzamide CAS Name: N-[[[(3-bromo-4-methoxyphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-2-fluorobenzamide IUPAC Name: N-[[(3-bromo-4-methoxybenzoyl)amino]carbamothioyl]-2-fluorobenzamide Traditional Name: N-[[(3-bromo-4-methoxy-benzoyl)amino]thiocarbamoyl]-2-fluoro-benzamide Formula: C16H13BrFN3O3S MolecularWeight: 426.260123

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NNC(=S)NC(=O)C2=CC=CC=C2F)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NNC(=S)NC(=O)C2=CC=CC=C2F)Br

InChI

InChI=1S/C16H13BrFN3O3S/c1-24-13-7-6-9(8-11(13)17)14(22)20-21-16(25)19-15(23)10-4-2-3-5-12(10)18/h2-8H,1H3,(H,20,22)(H2,19,21,23,25)