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

Systemtic Name: N-[4-[1-(4-cyanophenyl)ethylcarbamothioylamino]-2-methyl-phenyl]-2-fluoranyl-benzamide Openeye Name: N-[4-[1-(4-cyanophenyl)ethylcarbamothioylamino]-2-methyl-phenyl]-2-fluoro-benzamide CAS Name: N-[4-[[[1-(4-cyanophenyl)ethylamino]-sulfanylidenemethyl]amino]-2-methylphenyl]-2-fluorobenzamide IUPAC Name: N-[4-[1-(4-cyanophenyl)ethylcarbamothioylamino]-2-methylphenyl]-2-fluorobenzamide Traditional Name: N-[4-[1-(4-cyanophenyl)ethylthiocarbamoylamino]-2-methyl-phenyl]-2-fluoro-benzamide Formula: C24H21FN4OS MolecularWeight: 432.513143

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=S)NC(C)C2=CC=C(C=C2)C#N)NC(=O)C3=CC=CC=C3F

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=S)NC(C)C2=CC=C(C=C2)C#N)NC(=O)C3=CC=CC=C3F

InChI

InChI=1S/C24H21FN4OS/c1-15-13-19(11-12-22(15)29-23(30)20-5-3-4-6-21(20)25)28-24(31)27-16(2)18-9-7-17(14-26)8-10-18/h3-13,16H,1-2H3,(H,29,30)(H2,27,28,31)