1-[3-[(4-chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-N-hexyl-piperidine-3-carboxamide

Systemtic Name: 1-[3-[(4-chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-N-hexyl-piperidine-3-carboxamide Openeye Name: 1-[3-[(4-chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-N-hexyl-piperidine-3-carboxamide CAS Name: 1-[3-[(4-chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-N-hexyl-3-piperidinecarboxamide IUPAC Name: 1-[3-[(4-chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-N-hexylpiperidine-3-carboxamide Traditional Name: 1-[3-(4-chlorobenzyl)-1,2,4-thiadiazol-5-yl]-N-hexyl-nipecotamide Formula: C21H29ClN4OS MolecularWeight: 420.99916

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=O)C1CCCN(C1)C2=NC(=NS2)CC3=CC=C(C=C3)Cl

Isomeric SMILES

CCCCCCNC(=O)C1CCCN(C1)C2=NC(=NS2)CC3=CC=C(C=C3)Cl

InChI

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