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

Systemtic Name: 1-[4-[3-(phenylmethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]octan-1-one Openeye Name: 1-[4-(3-benzyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]octan-1-one CAS Name: 1-[4-[3-(phenylmethyl)-1,2,4-thiadiazol-5-yl]-1-piperazinyl]-1-octanone IUPAC Name: 1-[4-(3-benzyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]octan-1-one Traditional Name: 1-[4-(3-benzyl-1,2,4-thiadiazol-5-yl)piperazino]octan-1-one Formula: C21H30N4OS MolecularWeight: 386.5541

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N4OS/c1-2-3-4-5-9-12-20(26)24-13-15-25(16-14-24)21-22-19(23-27-21)17-18-10-7-6-8-11-18/h6-8,10-11H,2-5,9,12-17H2,1H3