N-[4-[1-(4-cyanophenyl)ethylsulfanylcarbamoylamino]-3-methyl-phenyl]-2-fluoranyl-benzamide

Systemtic Name: N-[4-[1-(4-cyanophenyl)ethylsulfanylcarbamoylamino]-3-methyl-phenyl]-2-fluoranyl-benzamide Openeye Name: N-[4-[1-(4-cyanophenyl)ethylsulfanylcarbamoylamino]-3-methyl-phenyl]-2-fluoro-benzamide CAS Name: N-[4-[[[[1-(4-cyanophenyl)ethylthio]amino]-oxomethyl]amino]-3-methylphenyl]-2-fluorobenzamide IUPAC Name: N-[4-[1-(4-cyanophenyl)ethylsulfanylcarbamoylamino]-3-methylphenyl]-2-fluorobenzamide Traditional Name: N-[4-[[1-(4-cyanophenyl)ethylthio]carbamoylamino]-3-methyl-phenyl]-2-fluoro-benzamide Formula: C24H21FN4O2S MolecularWeight: 448.512543

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)C2=CC=CC=C2F)NC(=O)NSC(C)C3=CC=C(C=C3)C#N

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)C2=CC=CC=C2F)NC(=O)NSC(C)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C24H21FN4O2S/c1-15-13-19(27-23(30)20-5-3-4-6-21(20)25)11-12-22(15)28-24(31)29-32-16(2)18-9-7-17(14-26)8-10-18/h3-13,16H,1-2H3,(H,27,30)(H2,28,29,31)