(2S)-1-[5-methoxy-2-[[2-(1-methylimidazol-2-yl)sulfanylethylamino]methyl]phenoxy]-3-pyrrolidin-1-yl-propan-2-ol

Systemtic Name: (2S)-1-[5-methoxy-2-[[2-(1-methylimidazol-2-yl)sulfanylethylamino]methyl]phenoxy]-3-pyrrolidin-1-yl-propan-2-ol Openeye Name: (2S)-1-[5-methoxy-2-[[2-(1-methylimidazol-2-yl)sulfanylethylamino]methyl]phenoxy]-3-pyrrolidin-1-yl-propan-2-ol CAS Name: (2S)-1-[5-methoxy-2-[[2-[(1-methyl-2-imidazolyl)thio]ethylamino]methyl]phenoxy]-3-(1-pyrrolidinyl)-2-propanol IUPAC Name: (2S)-1-[5-methoxy-2-[[2-(1-methylimidazol-2-yl)sulfanylethylamino]methyl]phenoxy]-3-pyrrolidin-1-ylpropan-2-ol Traditional Name: (2S)-1-[5-methoxy-2-[[2-[(1-methylimidazol-2-yl)thio]ethylamino]methyl]phenoxy]-3-pyrrolidino-propan-2-ol Formula: C21H32N4O3S MolecularWeight: 420.56878

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SCCNCC2=C(C=C(C=C2)OC)OCC(CN3CCCC3)O

Isomeric SMILES

CN1C=CN=C1SCCNCC2=C(C=C(C=C2)OC)OC[C@H](CN3CCCC3)O

InChI

InChI=1S/C21H32N4O3S/c1-24-11-7-23-21(24)29-12-8-22-14-17-5-6-19(27-2)13-20(17)28-16-18(26)15-25-9-3-4-10-25/h5-7,11,13,18,22,26H,3-4,8-10,12,14-16H2,1-2H3/t18-/m0/s1