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

Systemtic Name: N-[4-[1-(4-cyanophenyl)ethylcarbamothioylamino]phenyl]-2-fluoranyl-benzamide Openeye Name: N-[4-[1-(4-cyanophenyl)ethylcarbamothioylamino]phenyl]-2-fluoro-benzamide CAS Name: N-[4-[[[1-(4-cyanophenyl)ethylamino]-sulfanylidenemethyl]amino]phenyl]-2-fluorobenzamide IUPAC Name: N-[4-[1-(4-cyanophenyl)ethylcarbamothioylamino]phenyl]-2-fluorobenzamide Traditional Name: N-[4-[1-(4-cyanophenyl)ethylthiocarbamoylamino]phenyl]-2-fluoro-benzamide Formula: C23H19FN4OS MolecularWeight: 418.486563

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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

Isomeric SMILES

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

InChI

InChI=1S/C23H19FN4OS/c1-15(17-8-6-16(14-25)7-9-17)26-23(30)28-19-12-10-18(11-13-19)27-22(29)20-4-2-3-5-21(20)24/h2-13,15H,1H3,(H,27,29)(H2,26,28,30)