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

Systemtic Name: 2-(1-benzothiophen-3-yl)-N-[1-(2-cyanoethylamino)-1-oxidanylidene-propan-2-yl]benzamide Openeye Name: 2-(benzothiophen-3-yl)-N-[2-(2-cyanoethylamino)-1-methyl-2-oxo-ethyl]benzamide CAS Name: 2-(1-benzothiophen-3-yl)-N-[1-(2-cyanoethylamino)-1-oxopropan-2-yl]benzamide IUPAC Name: 2-(1-benzothiophen-3-yl)-N-[1-(2-cyanoethylamino)-1-oxopropan-2-yl]benzamide Traditional Name: 2-(benzothiophen-3-yl)-N-[2-(2-cyanoethylamino)-2-keto-1-methyl-ethyl]benzamide Formula: C21H19N3O2S MolecularWeight: 377.45946

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCC#N)NC(=O)C1=CC=CC=C1C2=CSC3=CC=CC=C32

Isomeric SMILES

CC(C(=O)NCCC#N)NC(=O)C1=CC=CC=C1C2=CSC3=CC=CC=C32

InChI

InChI=1S/C21H19N3O2S/c1-14(20(25)23-12-6-11-22)24-21(26)17-9-3-2-7-15(17)18-13-27-19-10-5-4-8-16(18)19/h2-5,7-10,13-14H,6,12H2,1H3,(H,23,25)(H,24,26)