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

Systemtic Name: N-[2-cyano-4-[1-(4-cyanophenyl)ethylcarbamothioylamino]phenyl]-2-fluoranyl-benzamide Openeye Name: N-[2-cyano-4-[1-(4-cyanophenyl)ethylcarbamothioylamino]phenyl]-2-fluoro-benzamide CAS Name: N-[2-cyano-4-[[[1-(4-cyanophenyl)ethylamino]-sulfanylidenemethyl]amino]phenyl]-2-fluorobenzamide IUPAC Name: N-[2-cyano-4-[1-(4-cyanophenyl)ethylcarbamothioylamino]phenyl]-2-fluorobenzamide Traditional Name: N-[2-cyano-4-[1-(4-cyanophenyl)ethylthiocarbamoylamino]phenyl]-2-fluoro-benzamide Formula: C24H18FN5OS MolecularWeight: 443.496023

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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)C#N

Isomeric SMILES

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

InChI

InChI=1S/C24H18FN5OS/c1-15(17-8-6-16(13-26)7-9-17)28-24(32)29-19-10-11-22(18(12-19)14-27)30-23(31)20-4-2-3-5-21(20)25/h2-12,15H,1H3,(H,30,31)(H2,28,29,32)