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

Systemtic Name: 2-[4-(2,1,3-benzothiadiazol-5-ylmethyl)-1-(3-phenylpropyl)piperazin-2-yl]ethanol Openeye Name: 2-[4-(2,1,3-benzothiadiazol-5-ylmethyl)-1-(3-phenylpropyl)piperazin-2-yl]ethanol CAS Name: 2-[4-(2,1,3-benzothiadiazol-5-ylmethyl)-1-(3-phenylpropyl)-2-piperazinyl]ethanol IUPAC Name: 2-[4-(2,1,3-benzothiadiazol-5-ylmethyl)-1-(3-phenylpropyl)piperazin-2-yl]ethanol Traditional Name: 2-[1-(3-phenylpropyl)-4-(piazthiol-5-ylmethyl)piperazin-2-yl]ethanol Formula: C22H28N4OS MolecularWeight: 396.54892

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CN1CC2=CC3=NSN=C3C=C2)CCO)CCCC4=CC=CC=C4

Isomeric SMILES

C1CN(C(CN1CC2=CC3=NSN=C3C=C2)CCO)CCCC4=CC=CC=C4

InChI

InChI=1S/C22H28N4OS/c27-14-10-20-17-25(16-19-8-9-21-22(15-19)24-28-23-21)12-13-26(20)11-4-7-18-5-2-1-3-6-18/h1-3,5-6,8-9,15,20,27H,4,7,10-14,16-17H2