N-[2-[(5-bromanylthiophen-2-yl)methylsulfanyl]ethyl]-1-pyrazin-2-yl-piperidine-3-carboxamide

Systemtic Name: N-[2-[(5-bromanylthiophen-2-yl)methylsulfanyl]ethyl]-1-pyrazin-2-yl-piperidine-3-carboxamide Openeye Name: N-[2-[(5-bromo-2-thienyl)methylsulfanyl]ethyl]-1-pyrazin-2-yl-piperidine-3-carboxamide CAS Name: N-[2-[(5-bromo-2-thiophenyl)methylthio]ethyl]-1-(2-pyrazinyl)-3-piperidinecarboxamide IUPAC Name: N-[2-[(5-bromothiophen-2-yl)methylsulfanyl]ethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide Traditional Name: N-[2-[(5-bromo-2-thienyl)methylthio]ethyl]-1-pyrazin-2-yl-nipecotamide Formula: C17H21BrN4OS2 MolecularWeight: 441.40884

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=NC=CN=C2)C(=O)NCCSCC3=CC=C(S3)Br

Isomeric SMILES

C1CC(CN(C1)C2=NC=CN=C2)C(=O)NCCSCC3=CC=C(S3)Br

InChI

InChI=1S/C17H21BrN4OS2/c18-15-4-3-14(25-15)12-24-9-7-21-17(23)13-2-1-8-22(11-13)16-10-19-5-6-20-16/h3-6,10,13H,1-2,7-9,11-12H2,(H,21,23)