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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=O)C1CCN(CC1)C2=NC(=NS2)CC3=CC=C(C=C3)Cl

Isomeric SMILES

CCCCCCNC(=O)C1CCN(CC1)C2=NC(=NS2)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H29ClN4OS/c1-2-3-4-5-12-23-20(27)17-10-13-26(14-11-17)21-24-19(25-28-21)15-16-6-8-18(22)9-7-16/h6-9,17H,2-5,10-15H2,1H3,(H,23,27)