1-[4-[(2,1,3-benzothiadiazol-5-ylmethylamino)methyl]-2-methoxy-phenoxy]-3-(diethylamino)propan-2-ol

Systemtic Name: 1-[4-[(2,1,3-benzothiadiazol-5-ylmethylamino)methyl]-2-methoxy-phenoxy]-3-(diethylamino)propan-2-ol Openeye Name: 1-[4-[(2,1,3-benzothiadiazol-5-ylmethylamino)methyl]-2-methoxy-phenoxy]-3-(diethylamino)propan-2-ol CAS Name: 1-[4-[(2,1,3-benzothiadiazol-5-ylmethylamino)methyl]-2-methoxyphenoxy]-3-(diethylamino)-2-propanol IUPAC Name: 1-[4-[(2,1,3-benzothiadiazol-5-ylmethylamino)methyl]-2-methoxyphenoxy]-3-(diethylamino)propan-2-ol Traditional Name: 1-(diethylamino)-3-[2-methoxy-4-[(piazthiol-5-ylmethylamino)methyl]phenoxy]propan-2-ol Formula: C22H30N4O3S MolecularWeight: 430.5636

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC(COC1=C(C=C(C=C1)CNCC2=CC3=NSN=C3C=C2)OC)O

Isomeric SMILES

CCN(CC)CC(COC1=C(C=C(C=C1)CNCC2=CC3=NSN=C3C=C2)OC)O

InChI

InChI=1S/C22H30N4O3S/c1-4-26(5-2)14-18(27)15-29-21-9-7-17(11-22(21)28-3)13-23-12-16-6-8-19-20(10-16)25-30-24-19/h6-11,18,23,27H,4-5,12-15H2,1-3H3