N-[1-(cyanomethylamino)-3-[(2-methylphenyl)methylsulfanyl]-1-oxidanylidene-propan-2-yl]benzamide

Systemtic Name: N-[1-(cyanomethylamino)-3-[(2-methylphenyl)methylsulfanyl]-1-oxidanylidene-propan-2-yl]benzamide Openeye Name: N-[2-(cyanomethylamino)-1-(o-tolylmethylsulfanylmethyl)-2-oxo-ethyl]benzamide CAS Name: N-[1-(cyanomethylamino)-3-[(2-methylphenyl)methylthio]-1-oxopropan-2-yl]benzamide IUPAC Name: N-[1-(cyanomethylamino)-3-[(2-methylphenyl)methylsulfanyl]-1-oxopropan-2-yl]benzamide Traditional Name: N-[2-(cyanomethylamino)-2-keto-1-[[(2-methylbenzyl)thio]methyl]ethyl]benzamide Formula: C20H21N3O2S MolecularWeight: 367.46464

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CSCC(C(=O)NCC#N)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CC1=CC=CC=C1CSCC(C(=O)NCC#N)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C20H21N3O2S/c1-15-7-5-6-10-17(15)13-26-14-18(20(25)22-12-11-21)23-19(24)16-8-3-2-4-9-16/h2-10,18H,12-14H2,1H3,(H,22,25)(H,23,24)