N-[1-(cyanomethylamino)-3-[(4-methylphenyl)methylsulfonylsulfanyl]-1-oxidanylidene-propan-2-yl]benzamide

Systemtic Name: N-[1-(cyanomethylamino)-3-[(4-methylphenyl)methylsulfonylsulfanyl]-1-oxidanylidene-propan-2-yl]benzamide Openeye Name: N-[2-(cyanomethylamino)-2-oxo-1-(p-tolylmethylsulfonylsulfanylmethyl)ethyl]benzamide CAS Name: N-[1-(cyanomethylamino)-3-[(4-methylphenyl)methylsulfonylthio]-1-oxopropan-2-yl]benzamide IUPAC Name: N-[1-(cyanomethylamino)-3-[(4-methylphenyl)methylsulfonylsulfanyl]-1-oxopropan-2-yl]benzamide Traditional Name: N-[2-(cyanomethylamino)-2-keto-1-[[(4-methylbenzyl)sulfonylthio]methyl]ethyl]benzamide Formula: C20H21N3O4S2 MolecularWeight: 431.52844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CS(=O)(=O)SCC(C(=O)NCC#N)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)CS(=O)(=O)SCC(C(=O)NCC#N)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C20H21N3O4S2/c1-15-7-9-16(10-8-15)14-29(26,27)28-13-18(20(25)22-12-11-21)23-19(24)17-5-3-2-4-6-17/h2-10,18H,12-14H2,1H3,(H,22,25)(H,23,24)