N-[3-tert-butylsulfanyl-1-(cyanomethylamino)-1-oxidanylidene-propan-2-yl]benzamide

Systemtic Name: N-[3-tert-butylsulfanyl-1-(cyanomethylamino)-1-oxidanylidene-propan-2-yl]benzamide Openeye Name: N-[1-(tert-butylsulfanylmethyl)-2-(cyanomethylamino)-2-oxo-ethyl]benzamide CAS Name: N-[3-(tert-butylthio)-1-(cyanomethylamino)-1-oxopropan-2-yl]benzamide IUPAC Name: N-[3-tert-butylsulfanyl-1-(cyanomethylamino)-1-oxopropan-2-yl]benzamide Traditional Name: N-[1-[(tert-butylthio)methyl]-2-(cyanomethylamino)-2-keto-ethyl]benzamide Formula: C16H21N3O2S MolecularWeight: 319.42184

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SCC(C(=O)NCC#N)NC(=O)C1=CC=CC=C1

Isomeric SMILES

CC(C)(C)SCC(C(=O)NCC#N)NC(=O)C1=CC=CC=C1

InChI

InChI=1S/C16H21N3O2S/c1-16(2,3)22-11-13(15(21)18-10-9-17)19-14(20)12-7-5-4-6-8-12/h4-8,13H,10-11H2,1-3H3,(H,18,21)(H,19,20)