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

Systemtic Name: 1-[2-methyl-4-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]octan-1-one Openeye Name: 1-[2-methyl-4-[3-(p-tolylmethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]octan-1-one CAS Name: 1-[2-methyl-4-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]-1-piperazinyl]-1-octanone IUPAC Name: 1-[2-methyl-4-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]octan-1-one Traditional Name: 1-[2-methyl-4-[3-(4-methylbenzyl)-1,2,4-thiadiazol-5-yl]piperazino]octan-1-one Formula: C23H34N4OS MolecularWeight: 414.60726

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)N1CCN(CC1C)C2=NC(=NS2)CC3=CC=C(C=C3)C

Isomeric SMILES

CCCCCCCC(=O)N1CCN(CC1C)C2=NC(=NS2)CC3=CC=C(C=C3)C

InChI

InChI=1S/C23H34N4OS/c1-4-5-6-7-8-9-22(28)27-15-14-26(17-19(27)3)23-24-21(25-29-23)16-20-12-10-18(2)11-13-20/h10-13,19H,4-9,14-17H2,1-3H3