1-[2-methoxy-5-[(2-methylsulfanylethylamino)methyl]phenoxy]-3-(4-methyl-1,4-diazepan-1-yl)propan-2-ol

Systemtic Name: 1-[2-methoxy-5-[(2-methylsulfanylethylamino)methyl]phenoxy]-3-(4-methyl-1,4-diazepan-1-yl)propan-2-ol Openeye Name: 1-[2-methoxy-5-[(2-methylsulfanylethylamino)methyl]phenoxy]-3-(4-methyl-1,4-diazepan-1-yl)propan-2-ol CAS Name: 1-[2-methoxy-5-[[2-(methylthio)ethylamino]methyl]phenoxy]-3-(4-methyl-1,4-diazepan-1-yl)-2-propanol IUPAC Name: 1-[2-methoxy-5-[(2-methylsulfanylethylamino)methyl]phenoxy]-3-(4-methyl-1,4-diazepan-1-yl)propan-2-ol Traditional Name: 1-[2-methoxy-5-[[2-(methylthio)ethylamino]methyl]phenoxy]-3-(4-methyl-1,4-diazepan-1-yl)propan-2-ol Formula: C20H35N3O3S MolecularWeight: 397.5752

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCN(CC1)CC(COC2=C(C=CC(=C2)CNCCSC)OC)O

Isomeric SMILES

CN1CCCN(CC1)CC(COC2=C(C=CC(=C2)CNCCSC)OC)O

InChI

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