1-(azepan-1-yl)-3-[2-methoxy-4-[[(3-methylsulfanylphenyl)methylamino]methyl]phenoxy]propan-2-ol

Systemtic Name: 1-(azepan-1-yl)-3-[2-methoxy-4-[[(3-methylsulfanylphenyl)methylamino]methyl]phenoxy]propan-2-ol Openeye Name: 1-(azepan-1-yl)-3-[2-methoxy-4-[[(3-methylsulfanylphenyl)methylamino]methyl]phenoxy]propan-2-ol CAS Name: 1-(1-azepanyl)-3-[2-methoxy-4-[[[3-(methylthio)phenyl]methylamino]methyl]phenoxy]-2-propanol IUPAC Name: 1-(azepan-1-yl)-3-[2-methoxy-4-[[(3-methylsulfanylphenyl)methylamino]methyl]phenoxy]propan-2-ol Traditional Name: 1-(azepan-1-yl)-3-[2-methoxy-4-[[[3-(methylthio)benzyl]amino]methyl]phenoxy]propan-2-ol Formula: C25H36N2O3S MolecularWeight: 444.62994

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CNCC2=CC(=CC=C2)SC)OCC(CN3CCCCCC3)O

Isomeric SMILES

COC1=C(C=CC(=C1)CNCC2=CC(=CC=C2)SC)OCC(CN3CCCCCC3)O

InChI

InChI=1S/C25H36N2O3S/c1-29-25-15-21(17-26-16-20-8-7-9-23(14-20)31-2)10-11-24(25)30-19-22(28)18-27-12-5-3-4-6-13-27/h7-11,14-15,22,26,28H,3-6,12-13,16-19H2,1-2H3