3-(octylamino)-1-(4-propan-2-ylsulfanylphenoxy)butan-2-ol

Systemtic Name: 3-(octylamino)-1-(4-propan-2-ylsulfanylphenoxy)butan-2-ol Openeye Name: 1-(4-isopropylsulfanylphenoxy)-3-(octylamino)butan-2-ol CAS Name: 3-(octylamino)-1-[4-(propan-2-ylthio)phenoxy]-2-butanol IUPAC Name: 3-(octylamino)-1-(4-propan-2-ylsulfanylphenoxy)butan-2-ol Traditional Name: 1-[4-(isopropylthio)phenoxy]-3-(octylamino)butan-2-ol Formula: C21H37NO2S MolecularWeight: 367.58898

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC(C)C(COC1=CC=C(C=C1)SC(C)C)O

Isomeric SMILES

CCCCCCCCNC(C)C(COC1=CC=C(C=C1)SC(C)C)O

InChI

InChI=1S/C21H37NO2S/c1-5-6-7-8-9-10-15-22-18(4)21(23)16-24-19-11-13-20(14-12-19)25-17(2)3/h11-14,17-18,21-23H,5-10,15-16H2,1-4H3