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

Systemtic Name: 1-[4-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]-2-methyl-piperazin-1-yl]nonan-1-one Openeye Name: 1-[4-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]-2-methyl-piperazin-1-yl]nonan-1-one CAS Name: 1-[4-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]-2-methyl-1-piperazinyl]-1-nonanone IUPAC Name: 1-[4-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]-2-methylpiperazin-1-yl]nonan-1-one Traditional Name: 1-[4-(3-m-anisyl-1,2,4-thiadiazol-5-yl)-2-methyl-piperazino]nonan-1-one Formula: C24H36N4O2S MolecularWeight: 444.63324

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H36N4O2S/c1-4-5-6-7-8-9-13-23(29)28-15-14-27(18-19(28)2)24-25-22(26-31-24)17-20-11-10-12-21(16-20)30-3/h10-12,16,19H,4-9,13-15,17-18H2,1-3H3