N-[2-chloranyl-4-[1-(4-cyanophenyl)ethylcarbamothioylamino]phenyl]-2-fluoranyl-benzamide

Systemtic Name: N-[2-chloranyl-4-[1-(4-cyanophenyl)ethylcarbamothioylamino]phenyl]-2-fluoranyl-benzamide Openeye Name: N-[2-chloro-4-[1-(4-cyanophenyl)ethylcarbamothioylamino]phenyl]-2-fluoro-benzamide CAS Name: N-[2-chloro-4-[[[1-(4-cyanophenyl)ethylamino]-sulfanylidenemethyl]amino]phenyl]-2-fluorobenzamide IUPAC Name: N-[2-chloro-4-[1-(4-cyanophenyl)ethylcarbamothioylamino]phenyl]-2-fluorobenzamide Traditional Name: N-[2-chloro-4-[1-(4-cyanophenyl)ethylthiocarbamoylamino]phenyl]-2-fluoro-benzamide Formula: C23H18ClFN4OS MolecularWeight: 452.931623

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H18ClFN4OS/c1-14(16-8-6-15(13-26)7-9-16)27-23(31)28-17-10-11-21(19(24)12-17)29-22(30)18-4-2-3-5-20(18)25/h2-12,14H,1H3,(H,29,30)(H2,27,28,31)