3-[[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-(2-methoxyethyl)amino]-1-[4-(phenylmethyl)piperazin-1-yl]propan-1-one

Systemtic Name: 3-[[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-(2-methoxyethyl)amino]-1-[4-(phenylmethyl)piperazin-1-yl]propan-1-one Openeye Name: 1-(4-benzylpiperazin-1-yl)-3-[[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-(2-methoxyethyl)amino]propan-1-one CAS Name: 3-[[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-(2-methoxyethyl)amino]-1-[4-(phenylmethyl)-1-piperazinyl]-1-propanone IUPAC Name: 1-(4-benzylpiperazin-1-yl)-3-[[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-(2-methoxyethyl)amino]propan-1-one Traditional Name: 1-(4-benzylpiperazino)-3-[[3-(4-fluorobenzyl)-1,2,4-thiadiazol-5-yl]-(2-methoxyethyl)amino]propan-1-one Formula: C26H32FN5O2S MolecularWeight: 497.627983

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Descriptors Computed from Structure

Canonical SMILES:

COCCN(CCC(=O)N1CCN(CC1)CC2=CC=CC=C2)C3=NC(=NS3)CC4=CC=C(C=C4)F

Isomeric SMILES

COCCN(CCC(=O)N1CCN(CC1)CC2=CC=CC=C2)C3=NC(=NS3)CC4=CC=C(C=C4)F

InChI

InChI=1S/C26H32FN5O2S/c1-34-18-17-32(26-28-24(29-35-26)19-21-7-9-23(27)10-8-21)12-11-25(33)31-15-13-30(14-16-31)20-22-5-3-2-4-6-22/h2-10H,11-20H2,1H3