1-(azocan-1-yl)-3-[2-methoxy-5-[(3-methylsulfanylpropylamino)methyl]phenoxy]propan-2-ol

Systemtic Name: 1-(azocan-1-yl)-3-[2-methoxy-5-[(3-methylsulfanylpropylamino)methyl]phenoxy]propan-2-ol Openeye Name: 1-(azocan-1-yl)-3-[2-methoxy-5-[(3-methylsulfanylpropylamino)methyl]phenoxy]propan-2-ol CAS Name: 1-(1-azocanyl)-3-[2-methoxy-5-[[3-(methylthio)propylamino]methyl]phenoxy]-2-propanol IUPAC Name: 1-(azocan-1-yl)-3-[2-methoxy-5-[(3-methylsulfanylpropylamino)methyl]phenoxy]propan-2-ol Traditional Name: 1-(azocan-1-yl)-3-[2-methoxy-5-[[3-(methylthio)propylamino]methyl]phenoxy]propan-2-ol Formula: C22H38N2O3S MolecularWeight: 410.61372

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNCCCSC)OCC(CN2CCCCCCC2)O

Isomeric SMILES

COC1=C(C=C(C=C1)CNCCCSC)OCC(CN2CCCCCCC2)O

InChI

InChI=1S/C22H38N2O3S/c1-26-21-10-9-19(16-23-11-8-14-28-2)15-22(21)27-18-20(25)17-24-12-6-4-3-5-7-13-24/h9-10,15,20,23,25H,3-8,11-14,16-18H2,1-2H3