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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H32N4OS/c1-3-4-5-6-10-13-21(27)26-15-14-25(17-18(26)2)22-23-20(24-28-22)16-19-11-8-7-9-12-19/h7-9,11-12,18H,3-6,10,13-17H2,1-2H3