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

Systemtic Name: N-[3-(1-benzothiophen-3-yl)-1-(cyanomethylamino)-1-oxidanylidene-propan-2-yl]-2-fluoranyl-benzamide Openeye Name: N-[1-(benzothiophen-3-ylmethyl)-2-(cyanomethylamino)-2-oxo-ethyl]-2-fluoro-benzamide CAS Name: N-[3-(1-benzothiophen-3-yl)-1-(cyanomethylamino)-1-oxopropan-2-yl]-2-fluorobenzamide IUPAC Name: N-[3-(1-benzothiophen-3-yl)-1-(cyanomethylamino)-1-oxopropan-2-yl]-2-fluorobenzamide Traditional Name: N-[1-(benzothiophen-3-ylmethyl)-2-(cyanomethylamino)-2-keto-ethyl]-2-fluoro-benzamide Formula: C20H16FN3O2S MolecularWeight: 381.423343

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CS2)CC(C(=O)NCC#N)NC(=O)C3=CC=CC=C3F

Isomeric SMILES

C1=CC=C2C(=C1)C(=CS2)CC(C(=O)NCC#N)NC(=O)C3=CC=CC=C3F

InChI

InChI=1S/C20H16FN3O2S/c21-16-7-3-1-6-15(16)19(25)24-17(20(26)23-10-9-22)11-13-12-27-18-8-4-2-5-14(13)18/h1-8,12,17H,10-11H2,(H,23,26)(H,24,25)