1-(2,2-dimethylhexylamino)-3-(4-propan-2-ylsulfanylphenoxy)propan-2-ol

Systemtic Name: 1-(2,2-dimethylhexylamino)-3-(4-propan-2-ylsulfanylphenoxy)propan-2-ol Openeye Name: 1-(2,2-dimethylhexylamino)-3-(4-isopropylsulfanylphenoxy)propan-2-ol CAS Name: 1-(2,2-dimethylhexylamino)-3-[4-(propan-2-ylthio)phenoxy]-2-propanol IUPAC Name: 1-(2,2-dimethylhexylamino)-3-(4-propan-2-ylsulfanylphenoxy)propan-2-ol Traditional Name: 1-(2,2-dimethylhexylamino)-3-[4-(isopropylthio)phenoxy]propan-2-ol Formula: C20H35NO2S MolecularWeight: 353.5624

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)(C)CNCC(COC1=CC=C(C=C1)SC(C)C)O

Isomeric SMILES

CCCCC(C)(C)CNCC(COC1=CC=C(C=C1)SC(C)C)O

InChI

InChI=1S/C20H35NO2S/c1-6-7-12-20(4,5)15-21-13-17(22)14-23-18-8-10-19(11-9-18)24-16(2)3/h8-11,16-17,21-22H,6-7,12-15H2,1-5H3