N-[(2S)-1-[2-[(2-cyanophenyl)methylsulfanyl]ethylamino]-3-methyl-1-oxidanylidene-butan-2-yl]-4-fluoranyl-benzamide

Systemtic Name: N-[(2S)-1-[2-[(2-cyanophenyl)methylsulfanyl]ethylamino]-3-methyl-1-oxidanylidene-butan-2-yl]-4-fluoranyl-benzamide Openeye Name: N-[(1S)-1-[2-[(2-cyanophenyl)methylsulfanyl]ethylcarbamoyl]-2-methyl-propyl]-4-fluoro-benzamide CAS Name: N-[(2S)-1-[2-[(2-cyanophenyl)methylthio]ethylamino]-3-methyl-1-oxobutan-2-yl]-4-fluorobenzamide IUPAC Name: N-[(2S)-1-[2-[(2-cyanophenyl)methylsulfanyl]ethylamino]-3-methyl-1-oxobutan-2-yl]-4-fluorobenzamide Traditional Name: N-[(1S)-1-[2-[(2-cyanobenzyl)thio]ethylcarbamoyl]-2-methyl-propyl]-4-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=C(C=C2)F

Isomeric SMILES

CC(C)[C@@H](C(=O)NCCSCC1=CC=CC=C1C#N)NC(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C22H24FN3O2S/c1-15(2)20(26-21(27)16-7-9-19(23)10-8-16)22(28)25-11-12-29-14-18-6-4-3-5-17(18)13-24/h3-10,15,20H,11-12,14H2,1-2H3,(H,25,28)(H,26,27)/t20-/m0/s1