(2S)-2-azanyl-N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]-N-methyl-4-methylsulfanyl-butanamide

Systemtic Name: (2S)-2-azanyl-N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]-N-methyl-4-methylsulfanyl-butanamide Openeye Name: (2S)-2-amino-N-[2-(1,3-benzodioxol-5-yl)-1-methyl-ethyl]-N-methyl-4-methylsulfanyl-butanamide CAS Name: (2S)-2-amino-N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]-N-methyl-4-(methylthio)butanamide IUPAC Name: (2S)-2-amino-N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]-N-methyl-4-methylsulfanylbutanamide Traditional Name: (2S)-2-amino-N-[2-(1,3-benzodioxol-5-yl)-1-methyl-ethyl]-N-methyl-4-(methylthio)butyramide Formula: C16H24N2O3S MolecularWeight: 324.43836

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC2=C(C=C1)OCO2)N(C)C(=O)C(CCSC)N

Isomeric SMILES

CC(CC1=CC2=C(C=C1)OCO2)N(C)C(=O)[C@H](CCSC)N

InChI

InChI=1S/C16H24N2O3S/c1-11(18(2)16(19)13(17)6-7-22-3)8-12-4-5-14-15(9-12)21-10-20-14/h4-5,9,11,13H,6-8,10,17H2,1-3H3/t11?,13-/m0/s1