2-fluoranyl-N-[[3-(3-phenylpropanoylamino)phenyl]carbamothioyl]benzamide

Systemtic Name: 2-fluoranyl-N-[[3-(3-phenylpropanoylamino)phenyl]carbamothioyl]benzamide Openeye Name: 2-fluoro-N-[[3-(3-phenylpropanoylamino)phenyl]carbamothioyl]benzamide CAS Name: 2-fluoro-N-[[3-[(1-oxo-3-phenylpropyl)amino]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 2-fluoro-N-[[3-(3-phenylpropanoylamino)phenyl]carbamothioyl]benzamide Traditional Name: 2-fluoro-N-[[3-(hydrocinnamoylamino)phenyl]thiocarbamoyl]benzamide Formula: C23H20FN3O2S MolecularWeight: 421.487203

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(=O)NC2=CC(=CC=C2)NC(=S)NC(=O)C3=CC=CC=C3F

Isomeric SMILES

C1=CC=C(C=C1)CCC(=O)NC2=CC(=CC=C2)NC(=S)NC(=O)C3=CC=CC=C3F

InChI

InChI=1S/C23H20FN3O2S/c24-20-12-5-4-11-19(20)22(29)27-23(30)26-18-10-6-9-17(15-18)25-21(28)14-13-16-7-2-1-3-8-16/h1-12,15H,13-14H2,(H,25,28)(H2,26,27,29,30)