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

Systemtic Name: N-(5-butyl-1,3,4-thiadiazol-2-yl)-1-(3-phenylpropanoyl)piperidine-4-carboxamide Openeye Name: N-(5-butyl-1,3,4-thiadiazol-2-yl)-1-(3-phenylpropanoyl)piperidine-4-carboxamide CAS Name: N-(5-butyl-1,3,4-thiadiazol-2-yl)-1-(1-oxo-3-phenylpropyl)-4-piperidinecarboxamide IUPAC Name: N-(5-butyl-1,3,4-thiadiazol-2-yl)-1-(3-phenylpropanoyl)piperidine-4-carboxamide Traditional Name: N-(5-butyl-1,3,4-thiadiazol-2-yl)-1-hydrocinnamoyl-isonipecotamide Formula: C21H28N4O2S MolecularWeight: 400.53762

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN=C(S1)NC(=O)C2CCN(CC2)C(=O)CCC3=CC=CC=C3

Isomeric SMILES

CCCCC1=NN=C(S1)NC(=O)C2CCN(CC2)C(=O)CCC3=CC=CC=C3

InChI

InChI=1S/C21H28N4O2S/c1-2-3-9-18-23-24-21(28-18)22-20(27)17-12-14-25(15-13-17)19(26)11-10-16-7-5-4-6-8-16/h4-8,17H,2-3,9-15H2,1H3,(H,22,24,27)