3-[2-[(4-azanyl-2-methyl-phenyl)amino]ethylsulfanyl]propane-1,2-diol dihydrochloride

Systemtic Name: 3-[2-[(4-azanyl-2-methyl-phenyl)amino]ethylsulfanyl]propane-1,2-diol dihydrochloride Openeye Name: 3-[2-(4-amino-2-methyl-anilino)ethylsulfanyl]propane-1,2-diol dihydrochloride CAS Name: 3-[2-(4-amino-2-methylanilino)ethylthio]propane-1,2-diol dihydrochloride IUPAC Name: 3-[2-(4-amino-2-methylanilino)ethylsulfanyl]propane-1,2-diol dihydrochloride Traditional Name: 3-[2-(4-amino-2-methyl-anilino)ethylthio]propane-1,2-diol dihydrochloride Formula: C12H22Cl2N2O2S MolecularWeight: 329.28628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N)NCCSCC(CO)O.Cl.Cl

Isomeric SMILES

CC1=C(C=CC(=C1)N)NCCSCC(CO)O.Cl.Cl

InChI

InChI=1S/C12H20N2O2S.2ClH/c1-9-6-10(13)2-3-12(9)14-4-5-17-8-11(16)7-15;;/h2-3,6,11,14-16H,4-5,7-8,13H2,1H3;2*1H