N-[1-(cyanomethylamino)-1-oxidanylidene-3-(phenylmethylsulfanyl)propan-2-yl]-4-fluoranyl-benzamide

Systemtic Name: N-[1-(cyanomethylamino)-1-oxidanylidene-3-(phenylmethylsulfanyl)propan-2-yl]-4-fluoranyl-benzamide Openeye Name: N-[1-(benzylsulfanylmethyl)-2-(cyanomethylamino)-2-oxo-ethyl]-4-fluoro-benzamide CAS Name: N-[1-(cyanomethylamino)-1-oxo-3-(phenylmethylthio)propan-2-yl]-4-fluorobenzamide IUPAC Name: N-[3-benzylsulfanyl-1-(cyanomethylamino)-1-oxopropan-2-yl]-4-fluorobenzamide Traditional Name: N-[1-[(benzylthio)methyl]-2-(cyanomethylamino)-2-keto-ethyl]-4-fluoro-benzamide Formula: C19H18FN3O2S MolecularWeight: 371.428523

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCC(C(=O)NCC#N)NC(=O)C2=CC=C(C=C2)F

Isomeric SMILES

C1=CC=C(C=C1)CSCC(C(=O)NCC#N)NC(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C19H18FN3O2S/c20-16-8-6-15(7-9-16)18(24)23-17(19(25)22-11-10-21)13-26-12-14-4-2-1-3-5-14/h1-9,17H,11-13H2,(H,22,25)(H,23,24)