1-[2-methoxy-4-[(2-pyridin-4-ylethylamino)methyl]phenoxy]-3-thiomorpholin-4-yl-propan-2-ol

Systemtic Name: 1-[2-methoxy-4-[(2-pyridin-4-ylethylamino)methyl]phenoxy]-3-thiomorpholin-4-yl-propan-2-ol Openeye Name: 1-[2-methoxy-4-[[2-(4-pyridyl)ethylamino]methyl]phenoxy]-3-thiomorpholino-propan-2-ol CAS Name: 1-[2-methoxy-4-[(2-pyridin-4-ylethylamino)methyl]phenoxy]-3-thiomorpholin-4-yl-2-propanol IUPAC Name: 1-[2-methoxy-4-[(2-pyridin-4-ylethylamino)methyl]phenoxy]-3-thiomorpholin-4-ylpropan-2-ol Traditional Name: 1-[2-methoxy-4-[[2-(4-pyridyl)ethylamino]methyl]phenoxy]-3-thiomorpholino-propan-2-ol Formula: C22H31N3O3S MolecularWeight: 417.56484

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CNCCC2=CC=NC=C2)OCC(CN3CCSCC3)O

Isomeric SMILES

COC1=C(C=CC(=C1)CNCCC2=CC=NC=C2)OCC(CN3CCSCC3)O

InChI

InChI=1S/C22H31N3O3S/c1-27-22-14-19(15-24-9-6-18-4-7-23-8-5-18)2-3-21(22)28-17-20(26)16-25-10-12-29-13-11-25/h2-5,7-8,14,20,24,26H,6,9-13,15-17H2,1H3