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

Systemtic Name: N-[[(3-bromanyl-4-methyl-phenyl)carbonylamino]carbamothioyl]-4-fluoranyl-benzamide Openeye Name: N-[[(3-bromo-4-methyl-benzoyl)amino]carbamothioyl]-4-fluoro-benzamide CAS Name: N-[[[(3-bromo-4-methylphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-4-fluorobenzamide IUPAC Name: N-[[(3-bromo-4-methylbenzoyl)amino]carbamothioyl]-4-fluorobenzamide Traditional Name: N-[[(3-bromo-4-methyl-benzoyl)amino]thiocarbamoyl]-4-fluoro-benzamide Formula: C16H13BrFN3O2S MolecularWeight: 410.260723

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NNC(=S)NC(=O)C2=CC=C(C=C2)F)Br

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NNC(=S)NC(=O)C2=CC=C(C=C2)F)Br

InChI

InChI=1S/C16H13BrFN3O2S/c1-9-2-3-11(8-13(9)17)15(23)20-21-16(24)19-14(22)10-4-6-12(18)7-5-10/h2-8H,1H3,(H,20,23)(H2,19,21,22,24)