1-[4-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]octan-1-one

Systemtic Name: 1-[4-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]octan-1-one Openeye Name: 1-[4-[3-(p-tolylmethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]octan-1-one CAS Name: 1-[4-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]-1-piperazinyl]-1-octanone IUPAC Name: 1-[4-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]octan-1-one Traditional Name: 1-[4-[3-(4-methylbenzyl)-1,2,4-thiadiazol-5-yl]piperazino]octan-1-one Formula: C22H32N4OS MolecularWeight: 400.58068

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)N1CCN(CC1)C2=NC(=NS2)CC3=CC=C(C=C3)C

Isomeric SMILES

CCCCCCCC(=O)N1CCN(CC1)C2=NC(=NS2)CC3=CC=C(C=C3)C

InChI

InChI=1S/C22H32N4OS/c1-3-4-5-6-7-8-21(27)25-13-15-26(16-14-25)22-23-20(24-28-22)17-19-11-9-18(2)10-12-19/h9-12H,3-8,13-17H2,1-2H3