2-(octylamino)-1-(4-propan-2-ylsulfanylphenyl)butan-1-ol

Systemtic Name: 2-(octylamino)-1-(4-propan-2-ylsulfanylphenyl)butan-1-ol Openeye Name: 1-(4-isopropylsulfanylphenyl)-2-(octylamino)butan-1-ol CAS Name: 2-(octylamino)-1-[4-(propan-2-ylthio)phenyl]-1-butanol IUPAC Name: 2-(octylamino)-1-(4-propan-2-ylsulfanylphenyl)butan-1-ol Traditional Name: 1-[4-(isopropylthio)phenyl]-2-(octylamino)butan-1-ol Formula: C21H37NOS MolecularWeight: 351.58958

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H37NOS/c1-5-7-8-9-10-11-16-22-20(6-2)21(23)18-12-14-19(15-13-18)24-17(3)4/h12-15,17,20-23H,5-11,16H2,1-4H3