N-[[2-(2-butan-2-ylphenoxy)ethanoylamino]carbamothioyl]-4-fluoranyl-benzamide

Systemtic Name: N-[[2-(2-butan-2-ylphenoxy)ethanoylamino]carbamothioyl]-4-fluoranyl-benzamide Openeye Name: 4-fluoro-N-[[[2-(2-sec-butylphenoxy)acetyl]amino]carbamothioyl]benzamide CAS Name: N-[[[2-(2-butan-2-ylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-4-fluorobenzamide IUPAC Name: N-[[[2-(2-butan-2-ylphenoxy)acetyl]amino]carbamothioyl]-4-fluorobenzamide Traditional Name: 4-fluoro-N-[[[2-(2-sec-butylphenoxy)acetyl]amino]thiocarbamoyl]benzamide Formula: C20H22FN3O3S MolecularWeight: 403.470383

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=CC=C1OCC(=O)NNC(=S)NC(=O)C2=CC=C(C=C2)F

Isomeric SMILES

CCC(C)C1=CC=CC=C1OCC(=O)NNC(=S)NC(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C20H22FN3O3S/c1-3-13(2)16-6-4-5-7-17(16)27-12-18(25)23-24-20(28)22-19(26)14-8-10-15(21)11-9-14/h4-11,13H,3,12H2,1-2H3,(H,23,25)(H2,22,24,26,28)