[2-(octylamino)-1-(4-propan-2-ylsulfanylphenyl)propyl] butanoate

Systemtic Name: [2-(octylamino)-1-(4-propan-2-ylsulfanylphenyl)propyl] butanoate Openeye Name: [1-(4-isopropylsulfanylphenyl)-2-(octylamino)propyl] butanoate CAS Name: butanoic acid [2-(octylamino)-1-[4-(propan-2-ylthio)phenyl]propyl] ester IUPAC Name: [2-(octylamino)-1-(4-propan-2-ylsulfanylphenyl)propyl] butanoate Traditional Name: butyric acid [1-[4-(isopropylthio)phenyl]-2-(octylamino)propyl] ester Formula: C24H41NO2S MolecularWeight: 407.65284

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H41NO2S/c1-6-8-9-10-11-12-18-25-20(5)24(27-23(26)13-7-2)21-14-16-22(17-15-21)28-19(3)4/h14-17,19-20,24-25H,6-13,18H2,1-5H3