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

Systemtic Name: 2-ethyl-1-[4-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]hexan-1-one Openeye Name: 2-ethyl-1-[4-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]hexan-1-one CAS Name: 2-ethyl-1-[4-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]-1-piperazinyl]-1-hexanone IUPAC Name: 2-ethyl-1-[4-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]hexan-1-one Traditional Name: 2-ethyl-1-[4-(3-m-anisyl-1,2,4-thiadiazol-5-yl)piperazino]hexan-1-one Formula: C22H32N4O2S MolecularWeight: 416.58008

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H32N4O2S/c1-4-6-9-18(5-2)21(27)25-11-13-26(14-12-25)22-23-20(24-29-22)16-17-8-7-10-19(15-17)28-3/h7-8,10,15,18H,4-6,9,11-14,16H2,1-3H3