N-[[2-(2-bromanyl-4-ethyl-phenoxy)ethanoylamino]carbamothioyl]-2-fluoranyl-benzamide

Systemtic Name: N-[[2-(2-bromanyl-4-ethyl-phenoxy)ethanoylamino]carbamothioyl]-2-fluoranyl-benzamide Openeye Name: N-[[[2-(2-bromo-4-ethyl-phenoxy)acetyl]amino]carbamothioyl]-2-fluoro-benzamide CAS Name: N-[[[2-(2-bromo-4-ethylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-2-fluorobenzamide IUPAC Name: N-[[[2-(2-bromo-4-ethylphenoxy)acetyl]amino]carbamothioyl]-2-fluorobenzamide Traditional Name: N-[[[2-(2-bromo-4-ethyl-phenoxy)acetyl]amino]thiocarbamoyl]-2-fluoro-benzamide Formula: C18H17BrFN3O3S MolecularWeight: 454.313283

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)OCC(=O)NNC(=S)NC(=O)C2=CC=CC=C2F)Br

Isomeric SMILES

CCC1=CC(=C(C=C1)OCC(=O)NNC(=S)NC(=O)C2=CC=CC=C2F)Br

InChI

InChI=1S/C18H17BrFN3O3S/c1-2-11-7-8-15(13(19)9-11)26-10-16(24)22-23-18(27)21-17(25)12-5-3-4-6-14(12)20/h3-9H,2,10H2,1H3,(H,22,24)(H2,21,23,25,27)