(2S)-3-[2-[(1S)-1-azanyl-3-methylsulfanyl-propyl]benzimidazol-1-yl]propane-1,2-diol

Systemtic Name: (2S)-3-[2-[(1S)-1-azanyl-3-methylsulfanyl-propyl]benzimidazol-1-yl]propane-1,2-diol Openeye Name: (2S)-3-[2-[(1S)-1-amino-3-methylsulfanyl-propyl]benzimidazol-1-yl]propane-1,2-diol CAS Name: (2S)-3-[2-[(1S)-1-amino-3-(methylthio)propyl]-1-benzimidazolyl]propane-1,2-diol IUPAC Name: (2S)-3-[2-[(1S)-1-amino-3-methylsulfanylpropyl]benzimidazol-1-yl]propane-1,2-diol Traditional Name: (2S)-3-[2-[(1S)-1-amino-3-(methylthio)propyl]benzimidazol-1-yl]propane-1,2-diol Formula: C14H21N3O2S MolecularWeight: 295.40044

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C1=NC2=CC=CC=C2N1CC(CO)O)N

Isomeric SMILES

CSCC[C@@H](C1=NC2=CC=CC=C2N1C[C@@H](CO)O)N

InChI

InChI=1S/C14H21N3O2S/c1-20-7-6-11(15)14-16-12-4-2-3-5-13(12)17(14)8-10(19)9-18/h2-5,10-11,18-19H,6-9,15H2,1H3/t10-,11-/m0/s1