N-[2-[[2-(2-cyanoethylsulfanyl)phenyl]amino]-2-oxidanylidene-ethyl]-3-methyl-butanamide

Systemtic Name: N-[2-[[2-(2-cyanoethylsulfanyl)phenyl]amino]-2-oxidanylidene-ethyl]-3-methyl-butanamide Openeye Name: N-[2-[2-(2-cyanoethylsulfanyl)anilino]-2-oxo-ethyl]-3-methyl-butanamide CAS Name: N-[2-[2-(2-cyanoethylthio)anilino]-2-oxoethyl]-3-methylbutanamide IUPAC Name: N-[2-[2-(2-cyanoethylsulfanyl)anilino]-2-oxoethyl]-3-methylbutanamide Traditional Name: N-[2-[2-(2-cyanoethylthio)anilino]-2-keto-ethyl]-3-methyl-butyramide Formula: C16H21N3O2S MolecularWeight: 319.42184

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NCC(=O)NC1=CC=CC=C1SCCC#N

Isomeric SMILES

CC(C)CC(=O)NCC(=O)NC1=CC=CC=C1SCCC#N

InChI

InChI=1S/C16H21N3O2S/c1-12(2)10-15(20)18-11-16(21)19-13-6-3-4-7-14(13)22-9-5-8-17/h3-4,6-7,12H,5,9-11H2,1-2H3,(H,18,20)(H,19,21)