N-[3-[(4-tert-butylphenyl)methylsulfanyl]-1-(cyanomethylamino)-1-oxidanylidene-propan-2-yl]benzamide

Systemtic Name: N-[3-[(4-tert-butylphenyl)methylsulfanyl]-1-(cyanomethylamino)-1-oxidanylidene-propan-2-yl]benzamide Openeye Name: N-[1-[(4-tert-butylphenyl)methylsulfanylmethyl]-2-(cyanomethylamino)-2-oxo-ethyl]benzamide CAS Name: N-[3-[(4-tert-butylphenyl)methylthio]-1-(cyanomethylamino)-1-oxopropan-2-yl]benzamide IUPAC Name: N-[3-[(4-tert-butylphenyl)methylsulfanyl]-1-(cyanomethylamino)-1-oxopropan-2-yl]benzamide Traditional Name: N-[1-[[(4-tert-butylbenzyl)thio]methyl]-2-(cyanomethylamino)-2-keto-ethyl]benzamide Formula: C23H27N3O2S MolecularWeight: 409.54438

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CSCC(C(=O)NCC#N)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CSCC(C(=O)NCC#N)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C23H27N3O2S/c1-23(2,3)19-11-9-17(10-12-19)15-29-16-20(22(28)25-14-13-24)26-21(27)18-7-5-4-6-8-18/h4-12,20H,14-16H2,1-3H3,(H,25,28)(H,26,27)