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

Systemtic Name: 2-[4-(2,1,3-benzothiadiazol-5-ylmethyl)-1-[(4-ethoxyphenyl)methyl]piperazin-2-yl]ethanol Openeye Name: 2-[4-(2,1,3-benzothiadiazol-5-ylmethyl)-1-[(4-ethoxyphenyl)methyl]piperazin-2-yl]ethanol CAS Name: 2-[4-(2,1,3-benzothiadiazol-5-ylmethyl)-1-[(4-ethoxyphenyl)methyl]-2-piperazinyl]ethanol IUPAC Name: 2-[4-(2,1,3-benzothiadiazol-5-ylmethyl)-1-[(4-ethoxyphenyl)methyl]piperazin-2-yl]ethanol Traditional Name: 2-[1-(4-ethoxybenzyl)-4-(piazthiol-5-ylmethyl)piperazin-2-yl]ethanol Formula: C22H28N4O2S MolecularWeight: 412.54832

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CN2CCN(CC2CCO)CC3=CC4=NSN=C4C=C3

Isomeric SMILES

CCOC1=CC=C(C=C1)CN2CCN(CC2CCO)CC3=CC4=NSN=C4C=C3

InChI

InChI=1S/C22H28N4O2S/c1-2-28-20-6-3-17(4-7-20)15-26-11-10-25(16-19(26)9-12-27)14-18-5-8-21-22(13-18)24-29-23-21/h3-8,13,19,27H,2,9-12,14-16H2,1H3