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

Systemtic Name: N-[5-(phenylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide Openeye Name: N-(5-benzylsulfanyl-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-(phenylmethylthio)-1,3,4-thiadiazol-2-yl]-4-piperidinecarboxamide IUPAC Name: N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide Traditional Name: N-[5-(benzylthio)-1,3,4-thiadiazol-2-yl]-1-[(E)-3-phenylacryloyl]isonipecotamide Formula: C24H24N4O2S2 MolecularWeight: 464.60296

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=NN=C(S2)SCC3=CC=CC=C3)C(=O)C=CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1C(=O)NC2=NN=C(S2)SCC3=CC=CC=C3)C(=O)/C=C/C4=CC=CC=C4

InChI

InChI=1S/C24H24N4O2S2/c29-21(12-11-18-7-3-1-4-8-18)28-15-13-20(14-16-28)22(30)25-23-26-27-24(32-23)31-17-19-9-5-2-6-10-19/h1-12,20H,13-17H2,(H,25,26,30)/b12-11+