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

Systemtic Name: N-[[[4-(butanoylamino)phenyl]carbonylamino]carbamothioyl]-4-fluoranyl-benzamide Openeye Name: N-[[[4-(butanoylamino)benzoyl]amino]carbamothioyl]-4-fluoro-benzamide CAS Name: 4-fluoro-N-[[[oxo-[4-(1-oxobutylamino)phenyl]methyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: N-[[[4-(butanoylamino)benzoyl]amino]carbamothioyl]-4-fluorobenzamide Traditional Name: N-[[(4-butyramidobenzoyl)amino]thiocarbamoyl]-4-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=C(C=C2)F

Isomeric SMILES

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

InChI

InChI=1S/C19H19FN4O3S/c1-2-3-16(25)21-15-10-6-13(7-11-15)18(27)23-24-19(28)22-17(26)12-4-8-14(20)9-5-12/h4-11H,2-3H2,1H3,(H,21,25)(H,23,27)(H2,22,24,26,28)