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

Systemtic Name: N-[3-(1-benzothiophen-3-yl)-1-(2-cyanoethylamino)-1-oxidanylidene-propan-2-yl]-3-(trifluoromethyl)benzamide Openeye Name: N-[1-(benzothiophen-3-ylmethyl)-2-(2-cyanoethylamino)-2-oxo-ethyl]-3-(trifluoromethyl)benzamide CAS Name: N-[3-(1-benzothiophen-3-yl)-1-(2-cyanoethylamino)-1-oxopropan-2-yl]-3-(trifluoromethyl)benzamide IUPAC Name: N-[3-(1-benzothiophen-3-yl)-1-(2-cyanoethylamino)-1-oxopropan-2-yl]-3-(trifluoromethyl)benzamide Traditional Name: N-[1-(benzothiophen-3-ylmethyl)-2-(2-cyanoethylamino)-2-keto-ethyl]-3-(trifluoromethyl)benzamide Formula: C22H18F3N3O2S MolecularWeight: 445.45743

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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=C3)C(F)(F)F

Isomeric SMILES

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

InChI

InChI=1S/C22H18F3N3O2S/c23-22(24,25)16-6-3-5-14(11-16)20(29)28-18(21(30)27-10-4-9-26)12-15-13-31-19-8-2-1-7-17(15)19/h1-3,5-8,11,13,18H,4,10,12H2,(H,27,30)(H,28,29)