N-[2-[(5-bromanylthiophen-2-yl)methylsulfanyl]ethyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide

Systemtic Name: N-[2-[(5-bromanylthiophen-2-yl)methylsulfanyl]ethyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide Openeye Name: N-[2-[(5-bromo-2-thienyl)methylsulfanyl]ethyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide CAS Name: N-[2-[(5-bromo-2-thiophenyl)methylthio]ethyl]-1-[(E)-1-oxo-3-phenylprop-2-enyl]-4-piperidinecarboxamide IUPAC Name: N-[2-[(5-bromothiophen-2-yl)methylsulfanyl]ethyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide Traditional Name: N-[2-[(5-bromo-2-thienyl)methylthio]ethyl]-1-[(E)-3-phenylacryloyl]isonipecotamide Formula: C22H25BrN2O2S2 MolecularWeight: 493.4801

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NCCSCC2=CC=C(S2)Br)C(=O)C=CC3=CC=CC=C3

Isomeric SMILES

C1CN(CCC1C(=O)NCCSCC2=CC=C(S2)Br)C(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C22H25BrN2O2S2/c23-20-8-7-19(29-20)16-28-15-12-24-22(27)18-10-13-25(14-11-18)21(26)9-6-17-4-2-1-3-5-17/h1-9,18H,10-16H2,(H,24,27)/b9-6+