(2S)-2-azanyl-N-(3,4-dimethylphenyl)-4-methylsulfanyl-butanamide

Systemtic Name: (2S)-2-azanyl-N-(3,4-dimethylphenyl)-4-methylsulfanyl-butanamide Openeye Name: (2S)-2-amino-N-(3,4-dimethylphenyl)-4-methylsulfanyl-butanamide CAS Name: (2S)-2-amino-N-(3,4-dimethylphenyl)-4-(methylthio)butanamide IUPAC Name: (2S)-2-amino-N-(3,4-dimethylphenyl)-4-methylsulfanylbutanamide Traditional Name: (2S)-2-amino-N-(3,4-dimethylphenyl)-4-(methylthio)butyramide Formula: C13H20N2OS MolecularWeight: 252.3757

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20N2OS/c1-9-4-5-11(8-10(9)2)15-13(16)12(14)6-7-17-3/h4-5,8,12H,6-7,14H2,1-3H3,(H,15,16)/t12-/m0/s1