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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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