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

Systemtic Name: 2-[4-(2,1,3-benzothiadiazol-5-ylmethyl)-1-[(2-methylphenyl)methyl]piperazin-2-yl]ethanol Openeye Name: 2-[4-(2,1,3-benzothiadiazol-5-ylmethyl)-1-(o-tolylmethyl)piperazin-2-yl]ethanol CAS Name: 2-[4-(2,1,3-benzothiadiazol-5-ylmethyl)-1-[(2-methylphenyl)methyl]-2-piperazinyl]ethanol IUPAC Name: 2-[4-(2,1,3-benzothiadiazol-5-ylmethyl)-1-[(2-methylphenyl)methyl]piperazin-2-yl]ethanol Traditional Name: 2-[1-(2-methylbenzyl)-4-(piazthiol-5-ylmethyl)piperazin-2-yl]ethanol Formula: C21H26N4OS MolecularWeight: 382.52234

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2CCN(CC2CCO)CC3=CC4=NSN=C4C=C3

Isomeric SMILES

CC1=CC=CC=C1CN2CCN(CC2CCO)CC3=CC4=NSN=C4C=C3

InChI

InChI=1S/C21H26N4OS/c1-16-4-2-3-5-18(16)14-25-10-9-24(15-19(25)8-11-26)13-17-6-7-20-21(12-17)23-27-22-20/h2-7,12,19,26H,8-11,13-15H2,1H3