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

Systemtic Name: 1-(azocan-1-yl)-3-[5-methoxy-2-[(2-methylsulfanylethylamino)methyl]phenoxy]propan-2-ol Openeye Name: 1-(azocan-1-yl)-3-[5-methoxy-2-[(2-methylsulfanylethylamino)methyl]phenoxy]propan-2-ol CAS Name: 1-(1-azocanyl)-3-[5-methoxy-2-[[2-(methylthio)ethylamino]methyl]phenoxy]-2-propanol IUPAC Name: 1-(azocan-1-yl)-3-[5-methoxy-2-[(2-methylsulfanylethylamino)methyl]phenoxy]propan-2-ol Traditional Name: 1-(azocan-1-yl)-3-[5-methoxy-2-[[2-(methylthio)ethylamino]methyl]phenoxy]propan-2-ol Formula: C21H36N2O3S MolecularWeight: 396.58714

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)CNCCSC)OCC(CN2CCCCCCC2)O

Isomeric SMILES

COC1=CC(=C(C=C1)CNCCSC)OCC(CN2CCCCCCC2)O

InChI

InChI=1S/C21H36N2O3S/c1-25-20-9-8-18(15-22-10-13-27-2)21(14-20)26-17-19(24)16-23-11-6-4-3-5-7-12-23/h8-9,14,19,22,24H,3-7,10-13,15-17H2,1-2H3