1-[[2-(4-methylsulfanylphenyl)-3-phenyl-butan-2-yl]amino]propane-1,3-diol hydrochloride

Systemtic Name: 1-[[2-(4-methylsulfanylphenyl)-3-phenyl-butan-2-yl]amino]propane-1,3-diol hydrochloride Openeye Name: 1-[[1-methyl-1-(4-methylsulfanylphenyl)-2-phenyl-propyl]amino]propane-1,3-diol hydrochloride CAS Name: 1-[[2-[4-(methylthio)phenyl]-3-phenylbutan-2-yl]amino]propane-1,3-diol hydrochloride IUPAC Name: 1-[[2-(4-methylsulfanylphenyl)-3-phenylbutan-2-yl]amino]propane-1,3-diol hydrochloride Traditional Name: 1-[[1-methyl-1-[4-(methylthio)phenyl]-2-phenyl-propyl]amino]propane-1,3-diol hydrochloride Formula: C20H28ClNO2S MolecularWeight: 381.95982

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)C(C)(C2=CC=C(C=C2)SC)NC(CCO)O.Cl

Isomeric SMILES

CC(C1=CC=CC=C1)C(C)(C2=CC=C(C=C2)SC)NC(CCO)O.Cl

InChI

InChI=1S/C20H27NO2S.ClH/c1-15(16-7-5-4-6-8-16)20(2,21-19(23)13-14-22)17-9-11-18(24-3)12-10-17;/h4-12,15,19,21-23H,13-14H2,1-3H3;1H