N-[1-(cyanomethylamino)-4-(2-methylphenyl)sulfanyl-1-oxidanylidene-butan-2-yl]benzamide

Systemtic Name: N-[1-(cyanomethylamino)-4-(2-methylphenyl)sulfanyl-1-oxidanylidene-butan-2-yl]benzamide Openeye Name: N-[1-(cyanomethylcarbamoyl)-3-(o-tolylsulfanyl)propyl]benzamide CAS Name: N-[1-(cyanomethylamino)-4-[(2-methylphenyl)thio]-1-oxobutan-2-yl]benzamide IUPAC Name: N-[1-(cyanomethylamino)-4-(2-methylphenyl)sulfanyl-1-oxobutan-2-yl]benzamide Traditional Name: N-[1-(cyanomethylcarbamoyl)-3-(o-tolylthio)propyl]benzamide Formula: C20H21N3O2S MolecularWeight: 367.46464

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1SCCC(C(=O)NCC#N)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CC1=CC=CC=C1SCCC(C(=O)NCC#N)NC(=O)C2=CC=CC=C2

InChI

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