N-(5-octyl-1,3,4-thiadiazol-2-yl)-1-(3-phenylpropanoyl)piperidine-4-carboxamide

Systemtic Name: N-(5-octyl-1,3,4-thiadiazol-2-yl)-1-(3-phenylpropanoyl)piperidine-4-carboxamide Openeye Name: N-(5-octyl-1,3,4-thiadiazol-2-yl)-1-(3-phenylpropanoyl)piperidine-4-carboxamide CAS Name: N-(5-octyl-1,3,4-thiadiazol-2-yl)-1-(1-oxo-3-phenylpropyl)-4-piperidinecarboxamide IUPAC Name: N-(5-octyl-1,3,4-thiadiazol-2-yl)-1-(3-phenylpropanoyl)piperidine-4-carboxamide Traditional Name: 1-hydrocinnamoyl-N-(5-octyl-1,3,4-thiadiazol-2-yl)isonipecotamide Formula: C25H36N4O2S MolecularWeight: 456.64394

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=NN=C(S1)NC(=O)C2CCN(CC2)C(=O)CCC3=CC=CC=C3

Isomeric SMILES

CCCCCCCCC1=NN=C(S1)NC(=O)C2CCN(CC2)C(=O)CCC3=CC=CC=C3

InChI

InChI=1S/C25H36N4O2S/c1-2-3-4-5-6-10-13-22-27-28-25(32-22)26-24(31)21-16-18-29(19-17-21)23(30)15-14-20-11-8-7-9-12-20/h7-9,11-12,21H,2-6,10,13-19H2,1H3,(H,26,28,31)