N-[[[4-(butanoylamino)phenyl]carbonylamino]carbamothioyl]-2-fluoranyl-benzamide

Systemtic Name: N-[[[4-(butanoylamino)phenyl]carbonylamino]carbamothioyl]-2-fluoranyl-benzamide Openeye Name: N-[[[4-(butanoylamino)benzoyl]amino]carbamothioyl]-2-fluoro-benzamide CAS Name: 2-fluoro-N-[[[oxo-[4-(1-oxobutylamino)phenyl]methyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: N-[[[4-(butanoylamino)benzoyl]amino]carbamothioyl]-2-fluorobenzamide Traditional Name: N-[[(4-butyramidobenzoyl)amino]thiocarbamoyl]-2-fluoro-benzamide Formula: C19H19FN4O3S MolecularWeight: 402.442563

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C2=CC=CC=C2F

Isomeric SMILES

CCCC(=O)NC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C2=CC=CC=C2F

InChI

InChI=1S/C19H19FN4O3S/c1-2-5-16(25)21-13-10-8-12(9-11-13)17(26)23-24-19(28)22-18(27)14-6-3-4-7-15(14)20/h3-4,6-11H,2,5H2,1H3,(H,21,25)(H,23,26)(H2,22,24,27,28)