2-(1-benzothiophen-3-yl)-4-(chloromethyl)-N-[1-(cyanomethylamino)-1-oxidanylidene-propan-2-yl]benzamide

Systemtic Name: 2-(1-benzothiophen-3-yl)-4-(chloromethyl)-N-[1-(cyanomethylamino)-1-oxidanylidene-propan-2-yl]benzamide Openeye Name: 2-(benzothiophen-3-yl)-4-(chloromethyl)-N-[2-(cyanomethylamino)-1-methyl-2-oxo-ethyl]benzamide CAS Name: 2-(1-benzothiophen-3-yl)-4-(chloromethyl)-N-[1-(cyanomethylamino)-1-oxopropan-2-yl]benzamide IUPAC Name: 2-(1-benzothiophen-3-yl)-4-(chloromethyl)-N-[1-(cyanomethylamino)-1-oxopropan-2-yl]benzamide Traditional Name: 2-(benzothiophen-3-yl)-4-(chloromethyl)-N-[2-(cyanomethylamino)-2-keto-1-methyl-ethyl]benzamide Formula: C21H18ClN3O2S MolecularWeight: 411.90452

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC#N)NC(=O)C1=C(C=C(C=C1)CCl)C2=CSC3=CC=CC=C32

Isomeric SMILES

CC(C(=O)NCC#N)NC(=O)C1=C(C=C(C=C1)CCl)C2=CSC3=CC=CC=C32

InChI

InChI=1S/C21H18ClN3O2S/c1-13(20(26)24-9-8-23)25-21(27)16-7-6-14(11-22)10-17(16)18-12-28-19-5-3-2-4-15(18)19/h2-7,10,12-13H,9,11H2,1H3,(H,24,26)(H,25,27)