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

Systemtic Name: 1-[4-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]-2-methyl-piperazin-1-yl]pentan-1-one Openeye Name: 1-[4-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]-2-methyl-piperazin-1-yl]pentan-1-one CAS Name: 1-[4-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]-2-methyl-1-piperazinyl]-1-pentanone IUPAC Name: 1-[4-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]-2-methylpiperazin-1-yl]pentan-1-one Traditional Name: 1-[4-(3-m-anisyl-1,2,4-thiadiazol-5-yl)-2-methyl-piperazino]pentan-1-one Formula: C20H28N4O2S MolecularWeight: 388.52692

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28N4O2S/c1-4-5-9-19(25)24-11-10-23(14-15(24)2)20-21-18(22-27-20)13-16-7-6-8-17(12-16)26-3/h6-8,12,15H,4-5,9-11,13-14H2,1-3H3