1-(azepan-1-yl)-3-[2-methoxy-4-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]phenoxy]propan-2-ol

Systemtic Name: 1-(azepan-1-yl)-3-[2-methoxy-4-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]phenoxy]propan-2-ol Openeye Name: 1-(azepan-1-yl)-3-[2-methoxy-4-[[(2-methylthiazol-4-yl)methylamino]methyl]phenoxy]propan-2-ol CAS Name: 1-(1-azepanyl)-3-[2-methoxy-4-[[(2-methyl-4-thiazolyl)methylamino]methyl]phenoxy]-2-propanol IUPAC Name: 1-(azepan-1-yl)-3-[2-methoxy-4-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]phenoxy]propan-2-ol Traditional Name: 1-(azepan-1-yl)-3-[2-methoxy-4-[[(2-methylthiazol-4-yl)methylamino]methyl]phenoxy]propan-2-ol Formula: C22H33N3O3S MolecularWeight: 419.58072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)CNCC2=CC(=C(C=C2)OCC(CN3CCCCCC3)O)OC

Isomeric SMILES

CC1=NC(=CS1)CNCC2=CC(=C(C=C2)OCC(CN3CCCCCC3)O)OC

InChI

InChI=1S/C22H33N3O3S/c1-17-24-19(16-29-17)13-23-12-18-7-8-21(22(11-18)27-2)28-15-20(26)14-25-9-5-3-4-6-10-25/h7-8,11,16,20,23,26H,3-6,9-10,12-15H2,1-2H3