N-[3-cyano-4-[1-(4-fluorophenyl)ethylcarbamothioylamino]phenyl]-2-fluoranyl-benzamide

Systemtic Name: N-[3-cyano-4-[1-(4-fluorophenyl)ethylcarbamothioylamino]phenyl]-2-fluoranyl-benzamide Openeye Name: N-[3-cyano-4-[1-(4-fluorophenyl)ethylcarbamothioylamino]phenyl]-2-fluoro-benzamide CAS Name: N-[3-cyano-4-[[[1-(4-fluorophenyl)ethylamino]-sulfanylidenemethyl]amino]phenyl]-2-fluorobenzamide IUPAC Name: N-[3-cyano-4-[1-(4-fluorophenyl)ethylcarbamothioylamino]phenyl]-2-fluorobenzamide Traditional Name: N-[3-cyano-4-[1-(4-fluorophenyl)ethylthiocarbamoylamino]phenyl]-2-fluoro-benzamide Formula: C23H18F2N4OS MolecularWeight: 436.477026

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)F)NC(=S)NC2=C(C=C(C=C2)NC(=O)C3=CC=CC=C3F)C#N

Isomeric SMILES

CC(C1=CC=C(C=C1)F)NC(=S)NC2=C(C=C(C=C2)NC(=O)C3=CC=CC=C3F)C#N

InChI

InChI=1S/C23H18F2N4OS/c1-14(15-6-8-17(24)9-7-15)27-23(31)29-21-11-10-18(12-16(21)13-26)28-22(30)19-4-2-3-5-20(19)25/h2-12,14H,1H3,(H,28,30)(H2,27,29,31)