(2S)-2-azanyl-N-(2-chloranyl-4,6-dimethyl-phenyl)-4-methylsulfanyl-butanamide

Systemtic Name: (2S)-2-azanyl-N-(2-chloranyl-4,6-dimethyl-phenyl)-4-methylsulfanyl-butanamide Openeye Name: (2S)-2-amino-N-(2-chloro-4,6-dimethyl-phenyl)-4-methylsulfanyl-butanamide CAS Name: (2S)-2-amino-N-(2-chloro-4,6-dimethylphenyl)-4-(methylthio)butanamide IUPAC Name: (2S)-2-amino-N-(2-chloro-4,6-dimethylphenyl)-4-methylsulfanylbutanamide Traditional Name: (2S)-2-amino-N-(2-chloro-4,6-dimethyl-phenyl)-4-(methylthio)butyramide Formula: C13H19ClN2OS MolecularWeight: 286.82076

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Cl)NC(=O)C(CCSC)N)C

Isomeric SMILES

CC1=CC(=C(C(=C1)Cl)NC(=O)[C@H](CCSC)N)C

InChI

InChI=1S/C13H19ClN2OS/c1-8-6-9(2)12(10(14)7-8)16-13(17)11(15)4-5-18-3/h6-7,11H,4-5,15H2,1-3H3,(H,16,17)/t11-/m0/s1