(2R)-1-[2-methoxy-5-[(3-methylsulfanylpropylamino)methyl]phenoxy]-3-(4-methylpiperazin-1-yl)propan-2-ol

Systemtic Name: (2R)-1-[2-methoxy-5-[(3-methylsulfanylpropylamino)methyl]phenoxy]-3-(4-methylpiperazin-1-yl)propan-2-ol Openeye Name: (2R)-1-[2-methoxy-5-[(3-methylsulfanylpropylamino)methyl]phenoxy]-3-(4-methylpiperazin-1-yl)propan-2-ol CAS Name: (2R)-1-[2-methoxy-5-[[3-(methylthio)propylamino]methyl]phenoxy]-3-(4-methyl-1-piperazinyl)-2-propanol IUPAC Name: (2R)-1-[2-methoxy-5-[(3-methylsulfanylpropylamino)methyl]phenoxy]-3-(4-methylpiperazin-1-yl)propan-2-ol Traditional Name: (2R)-1-[2-methoxy-5-[[3-(methylthio)propylamino]methyl]phenoxy]-3-(4-methylpiperazino)propan-2-ol Formula: C20H35N3O3S MolecularWeight: 397.5752

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CC(COC2=C(C=CC(=C2)CNCCCSC)OC)O

Isomeric SMILES

CN1CCN(CC1)C[C@H](COC2=C(C=CC(=C2)CNCCCSC)OC)O

InChI

InChI=1S/C20H35N3O3S/c1-22-8-10-23(11-9-22)15-18(24)16-26-20-13-17(5-6-19(20)25-2)14-21-7-4-12-27-3/h5-6,13,18,21,24H,4,7-12,14-16H2,1-3H3/t18-/m1/s1