N-[1-[2-[(2-cyanophenyl)methylsulfanyl]ethylamino]-3-methyl-1-oxidanylidene-butan-2-yl]-2-fluoranyl-benzamide

Systemtic Name: N-[1-[2-[(2-cyanophenyl)methylsulfanyl]ethylamino]-3-methyl-1-oxidanylidene-butan-2-yl]-2-fluoranyl-benzamide Openeye Name: N-[1-[2-[(2-cyanophenyl)methylsulfanyl]ethylcarbamoyl]-2-methyl-propyl]-2-fluoro-benzamide CAS Name: N-[1-[2-[(2-cyanophenyl)methylthio]ethylamino]-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide IUPAC Name: N-[1-[2-[(2-cyanophenyl)methylsulfanyl]ethylamino]-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide Traditional Name: N-[1-[2-[(2-cyanobenzyl)thio]ethylcarbamoyl]-2-methyl-propyl]-2-fluoro-benzamide Formula: C22H24FN3O2S MolecularWeight: 413.508263

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCCSCC1=CC=CC=C1C#N)NC(=O)C2=CC=CC=C2F

Isomeric SMILES

CC(C)C(C(=O)NCCSCC1=CC=CC=C1C#N)NC(=O)C2=CC=CC=C2F

InChI

InChI=1S/C22H24FN3O2S/c1-15(2)20(26-21(27)18-9-5-6-10-19(18)23)22(28)25-11-12-29-14-17-8-4-3-7-16(17)13-24/h3-10,15,20H,11-12,14H2,1-2H3,(H,25,28)(H,26,27)