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

Systemtic Name: 1-[4-[(3-imidazol-1-ylpropylamino)methyl]-2-methoxy-phenoxy]-3-thiomorpholin-4-yl-propan-2-ol Openeye Name: 1-[4-[(3-imidazol-1-ylpropylamino)methyl]-2-methoxy-phenoxy]-3-thiomorpholino-propan-2-ol CAS Name: 1-[4-[[3-(1-imidazolyl)propylamino]methyl]-2-methoxyphenoxy]-3-thiomorpholin-4-yl-2-propanol IUPAC Name: 1-[4-[(3-imidazol-1-ylpropylamino)methyl]-2-methoxyphenoxy]-3-thiomorpholin-4-ylpropan-2-ol Traditional Name: 1-[4-[(3-imidazol-1-ylpropylamino)methyl]-2-methoxy-phenoxy]-3-thiomorpholino-propan-2-ol Formula: C21H32N4O3S MolecularWeight: 420.56878

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CNCCCN2C=CN=C2)OCC(CN3CCSCC3)O

Isomeric SMILES

COC1=C(C=CC(=C1)CNCCCN2C=CN=C2)OCC(CN3CCSCC3)O

InChI

InChI=1S/C21H32N4O3S/c1-27-21-13-18(14-22-5-2-7-25-8-6-23-17-25)3-4-20(21)28-16-19(26)15-24-9-11-29-12-10-24/h3-4,6,8,13,17,19,22,26H,2,5,7,9-12,14-16H2,1H3