N-(2-cyclopentylsulfanylphenyl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide

Systemtic Name: N-(2-cyclopentylsulfanylphenyl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide Openeye Name: N-(2-cyclopentylsulfanylphenyl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide CAS Name: N-[2-(cyclopentylthio)phenyl]-1-[(E)-1-oxo-3-phenylprop-2-enyl]-4-piperidinecarboxamide IUPAC Name: N-(2-cyclopentylsulfanylphenyl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide Traditional Name: N-[2-(cyclopentylthio)phenyl]-1-[(E)-3-phenylacryloyl]isonipecotamide Formula: C26H30N2O2S MolecularWeight: 434.5936

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)SC2=CC=CC=C2NC(=O)C3CCN(CC3)C(=O)C=CC4=CC=CC=C4

Isomeric SMILES

C1CCC(C1)SC2=CC=CC=C2NC(=O)C3CCN(CC3)C(=O)/C=C/C4=CC=CC=C4

InChI

InChI=1S/C26H30N2O2S/c29-25(15-14-20-8-2-1-3-9-20)28-18-16-21(17-19-28)26(30)27-23-12-6-7-13-24(23)31-22-10-4-5-11-22/h1-3,6-9,12-15,21-22H,4-5,10-11,16-19H2,(H,27,30)/b15-14+