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

Systemtic Name: N-[3-(1-benzothiophen-3-yl)-1-(2-cyanoethylamino)-1-oxidanylidene-propan-2-yl]-2-fluoranyl-benzamide Openeye Name: N-[1-(benzothiophen-3-ylmethyl)-2-(2-cyanoethylamino)-2-oxo-ethyl]-2-fluoro-benzamide CAS Name: N-[3-(1-benzothiophen-3-yl)-1-(2-cyanoethylamino)-1-oxopropan-2-yl]-2-fluorobenzamide IUPAC Name: N-[3-(1-benzothiophen-3-yl)-1-(2-cyanoethylamino)-1-oxopropan-2-yl]-2-fluorobenzamide Traditional Name: N-[1-(benzothiophen-3-ylmethyl)-2-(2-cyanoethylamino)-2-keto-ethyl]-2-fluoro-benzamide Formula: C21H18FN3O2S MolecularWeight: 395.449923

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18FN3O2S/c22-17-8-3-1-7-16(17)20(26)25-18(21(27)24-11-5-10-23)12-14-13-28-19-9-4-2-6-15(14)19/h1-4,6-9,13,18H,5,11-12H2,(H,24,27)(H,25,26)