2-[4-(2,1,3-benzothiadiazol-5-ylmethyl)-1-[(3-methoxyphenyl)methyl]piperazin-2-yl]ethanol

Systemtic Name: 2-[4-(2,1,3-benzothiadiazol-5-ylmethyl)-1-[(3-methoxyphenyl)methyl]piperazin-2-yl]ethanol Openeye Name: 2-[4-(2,1,3-benzothiadiazol-5-ylmethyl)-1-[(3-methoxyphenyl)methyl]piperazin-2-yl]ethanol CAS Name: 2-[4-(2,1,3-benzothiadiazol-5-ylmethyl)-1-[(3-methoxyphenyl)methyl]-2-piperazinyl]ethanol IUPAC Name: 2-[4-(2,1,3-benzothiadiazol-5-ylmethyl)-1-[(3-methoxyphenyl)methyl]piperazin-2-yl]ethanol Traditional Name: 2-[1-m-anisyl-4-(piazthiol-5-ylmethyl)piperazin-2-yl]ethanol Formula: C21H26N4O2S MolecularWeight: 398.52174

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CN2CCN(CC2CCO)CC3=CC4=NSN=C4C=C3

Isomeric SMILES

COC1=CC=CC(=C1)CN2CCN(CC2CCO)CC3=CC4=NSN=C4C=C3

InChI

InChI=1S/C21H26N4O2S/c1-27-19-4-2-3-16(11-19)14-25-9-8-24(15-18(25)7-10-26)13-17-5-6-20-21(12-17)23-28-22-20/h2-6,11-12,18,26H,7-10,13-15H2,1H3