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

Systemtic Name: N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide Openeye Name: N-[5-(1-ethylpropyl)-1,3,4-thiadiazol-2-yl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide CAS Name: 1-[(E)-1-oxo-3-phenylprop-2-enyl]-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-4-piperidinecarboxamide IUPAC Name: N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide Traditional Name: N-[5-(1-ethylpropyl)-1,3,4-thiadiazol-2-yl]-1-[(E)-3-phenylacryloyl]isonipecotamide Formula: C22H28N4O2S MolecularWeight: 412.54832

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C1=NN=C(S1)NC(=O)C2CCN(CC2)C(=O)C=CC3=CC=CC=C3

Isomeric SMILES

CCC(CC)C1=NN=C(S1)NC(=O)C2CCN(CC2)C(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C22H28N4O2S/c1-3-17(4-2)21-24-25-22(29-21)23-20(28)18-12-14-26(15-13-18)19(27)11-10-16-8-6-5-7-9-16/h5-11,17-18H,3-4,12-15H2,1-2H3,(H,23,25,28)/b11-10+