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

Systemtic Name: 1-[4-[3-[(4-chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]octan-1-one Openeye Name: 1-[4-[3-[(4-chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]octan-1-one CAS Name: 1-[4-[3-[(4-chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-1-piperazinyl]-1-octanone IUPAC Name: 1-[4-[3-[(4-chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]octan-1-one Traditional Name: 1-[4-[3-(4-chlorobenzyl)-1,2,4-thiadiazol-5-yl]piperazino]octan-1-one Formula: C21H29ClN4OS MolecularWeight: 420.99916

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29ClN4OS/c1-2-3-4-5-6-7-20(27)25-12-14-26(15-13-25)21-23-19(24-28-21)16-17-8-10-18(22)11-9-17/h8-11H,2-7,12-16H2,1H3