N-(5-butyl-1,3,4-thiadiazol-2-yl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide

Systemtic Name: N-(5-butyl-1,3,4-thiadiazol-2-yl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide Openeye Name: N-(5-butyl-1,3,4-thiadiazol-2-yl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide CAS Name: N-(5-butyl-1,3,4-thiadiazol-2-yl)-1-[(E)-1-oxo-3-phenylprop-2-enyl]-4-piperidinecarboxamide IUPAC Name: N-(5-butyl-1,3,4-thiadiazol-2-yl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide Traditional Name: N-(5-butyl-1,3,4-thiadiazol-2-yl)-1-[(E)-3-phenylacryloyl]isonipecotamide Formula: C21H26N4O2S MolecularWeight: 398.52174

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN=C(S1)NC(=O)C2CCN(CC2)C(=O)C=CC3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4O2S/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/h4-8,10-11,17H,2-3,9,12-15H2,1H3,(H,22,24,27)/b11-10+