N-(cyanomethylcarbamoyl)-2-[2-[(4-methylphenyl)methylsulfanyl]ethyl]benzamide

Systemtic Name: N-(cyanomethylcarbamoyl)-2-[2-[(4-methylphenyl)methylsulfanyl]ethyl]benzamide Openeye Name: N-(cyanomethylcarbamoyl)-2-[2-(p-tolylmethylsulfanyl)ethyl]benzamide CAS Name: N-[(cyanomethylamino)-oxomethyl]-2-[2-[(4-methylphenyl)methylthio]ethyl]benzamide IUPAC Name: N-(cyanomethylcarbamoyl)-2-[2-[(4-methylphenyl)methylsulfanyl]ethyl]benzamide Traditional Name: N-(cyanomethylcarbamoyl)-2-[2-[(4-methylbenzyl)thio]ethyl]benzamide Formula: C20H21N3O2S MolecularWeight: 367.46464

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSCCC2=CC=CC=C2C(=O)NC(=O)NCC#N

Isomeric SMILES

CC1=CC=C(C=C1)CSCCC2=CC=CC=C2C(=O)NC(=O)NCC#N

InChI

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