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

Systemtic Name: N-[3-(1-benzothiophen-3-yl)-1-(cyanomethylamino)-1-oxidanylidene-propan-2-yl]-3-(trifluoromethyl)benzamide Openeye Name: N-[1-(benzothiophen-3-ylmethyl)-2-(cyanomethylamino)-2-oxo-ethyl]-3-(trifluoromethyl)benzamide CAS Name: N-[3-(1-benzothiophen-3-yl)-1-(cyanomethylamino)-1-oxopropan-2-yl]-3-(trifluoromethyl)benzamide IUPAC Name: N-[3-(1-benzothiophen-3-yl)-1-(cyanomethylamino)-1-oxopropan-2-yl]-3-(trifluoromethyl)benzamide Traditional Name: N-[1-(benzothiophen-3-ylmethyl)-2-(cyanomethylamino)-2-keto-ethyl]-3-(trifluoromethyl)benzamide Formula: C21H16F3N3O2S MolecularWeight: 431.43085

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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=C3)C(F)(F)F

Isomeric SMILES

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

InChI

InChI=1S/C21H16F3N3O2S/c22-21(23,24)15-5-3-4-13(10-15)19(28)27-17(20(29)26-9-8-25)11-14-12-30-18-7-2-1-6-16(14)18/h1-7,10,12,17H,9,11H2,(H,26,29)(H,27,28)