4-cyano-2-fluoranyl-N-[[4-(2-phenylethanoylamino)phenyl]carbamothioyl]benzamide

Systemtic Name: 4-cyano-2-fluoranyl-N-[[4-(2-phenylethanoylamino)phenyl]carbamothioyl]benzamide Openeye Name: 4-cyano-2-fluoro-N-[[4-[(2-phenylacetyl)amino]phenyl]carbamothioyl]benzamide CAS Name: 4-cyano-2-fluoro-N-[[4-[(1-oxo-2-phenylethyl)amino]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-cyano-2-fluoro-N-[[4-[(2-phenylacetyl)amino]phenyl]carbamothioyl]benzamide Traditional Name: 4-cyano-2-fluoro-N-[[4-[(2-phenylacetyl)amino]phenyl]thiocarbamoyl]benzamide Formula: C23H17FN4O2S MolecularWeight: 432.470083

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(=O)NC2=CC=C(C=C2)NC(=S)NC(=O)C3=C(C=C(C=C3)C#N)F

Isomeric SMILES

C1=CC=C(C=C1)CC(=O)NC2=CC=C(C=C2)NC(=S)NC(=O)C3=C(C=C(C=C3)C#N)F

InChI

InChI=1S/C23H17FN4O2S/c24-20-12-16(14-25)6-11-19(20)22(30)28-23(31)27-18-9-7-17(8-10-18)26-21(29)13-15-4-2-1-3-5-15/h1-12H,13H2,(H,26,29)(H2,27,28,30,31)