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

Systemtic Name: 1-[4-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]heptan-1-one Openeye Name: 1-[4-[3-(p-tolylmethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]heptan-1-one CAS Name: 1-[4-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]-1-piperazinyl]-1-heptanone IUPAC Name: 1-[4-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]heptan-1-one Traditional Name: 1-[4-[3-(4-methylbenzyl)-1,2,4-thiadiazol-5-yl]piperazino]heptan-1-one Formula: C21H30N4OS MolecularWeight: 386.5541

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N4OS/c1-3-4-5-6-7-20(26)24-12-14-25(15-13-24)21-22-19(23-27-21)16-18-10-8-17(2)9-11-18/h8-11H,3-7,12-16H2,1-2H3