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

Systemtic Name: 1-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]-N-pentyl-piperidine-4-carboxamide Openeye Name: N-pentyl-1-[3-(p-tolylmethyl)-1,2,4-thiadiazol-5-yl]piperidine-4-carboxamide CAS Name: 1-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]-N-pentyl-4-piperidinecarboxamide IUPAC Name: 1-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]-N-pentylpiperidine-4-carboxamide Traditional Name: N-amyl-1-[3-(4-methylbenzyl)-1,2,4-thiadiazol-5-yl]isonipecotamide Formula: C21H30N4OS MolecularWeight: 386.5541

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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