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

Systemtic Name: 1-[4-[3-(phenylmethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]heptan-1-one Openeye Name: 1-[4-(3-benzyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]heptan-1-one CAS Name: 1-[4-[3-(phenylmethyl)-1,2,4-thiadiazol-5-yl]-1-piperazinyl]-1-heptanone IUPAC Name: 1-[4-(3-benzyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]heptan-1-one Traditional Name: 1-[4-(3-benzyl-1,2,4-thiadiazol-5-yl)piperazino]heptan-1-one Formula: C20H28N4OS MolecularWeight: 372.52752

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28N4OS/c1-2-3-4-8-11-19(25)23-12-14-24(15-13-23)20-21-18(22-26-20)16-17-9-6-5-7-10-17/h5-7,9-10H,2-4,8,11-16H2,1H3