1-[4-(azepan-1-ylmethyl)-2-methoxy-phenoxy]-3-thiomorpholin-4-yl-propan-2-ol

Systemtic Name: 1-[4-(azepan-1-ylmethyl)-2-methoxy-phenoxy]-3-thiomorpholin-4-yl-propan-2-ol Openeye Name: 1-[4-(azepan-1-ylmethyl)-2-methoxy-phenoxy]-3-thiomorpholino-propan-2-ol CAS Name: 1-[4-(1-azepanylmethyl)-2-methoxyphenoxy]-3-thiomorpholin-4-yl-2-propanol IUPAC Name: 1-[4-(azepan-1-ylmethyl)-2-methoxyphenoxy]-3-thiomorpholin-4-ylpropan-2-ol Traditional Name: 1-[4-(azepan-1-ylmethyl)-2-methoxy-phenoxy]-3-thiomorpholino-propan-2-ol Formula: C21H34N2O3S MolecularWeight: 394.57126

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CN2CCCCCC2)OCC(CN3CCSCC3)O

Isomeric SMILES

COC1=C(C=CC(=C1)CN2CCCCCC2)OCC(CN3CCSCC3)O

InChI

InChI=1S/C21H34N2O3S/c1-25-21-14-18(15-22-8-4-2-3-5-9-22)6-7-20(21)26-17-19(24)16-23-10-12-27-13-11-23/h6-7,14,19,24H,2-5,8-13,15-17H2,1H3