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

Systemtic Name: 1-[4-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]-2-methyl-piperazin-1-yl]octan-1-one Openeye Name: 1-[4-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]-2-methyl-piperazin-1-yl]octan-1-one CAS Name: 1-[4-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]-2-methyl-1-piperazinyl]-1-octanone IUPAC Name: 1-[4-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]-2-methylpiperazin-1-yl]octan-1-one Traditional Name: 1-[4-(3-m-anisyl-1,2,4-thiadiazol-5-yl)-2-methyl-piperazino]octan-1-one Formula: C23H34N4O2S MolecularWeight: 430.60666

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H34N4O2S/c1-4-5-6-7-8-12-22(28)27-14-13-26(17-18(27)2)23-24-21(25-30-23)16-19-10-9-11-20(15-19)29-3/h9-11,15,18H,4-8,12-14,16-17H2,1-3H3