1-(3-phenylsulfanylpyrazin-2-yl)-N-(2-piperidin-1-ylethyl)piperidine-4-carboxamide

Systemtic Name: 1-(3-phenylsulfanylpyrazin-2-yl)-N-(2-piperidin-1-ylethyl)piperidine-4-carboxamide Openeye Name: 1-(3-phenylsulfanylpyrazin-2-yl)-N-[2-(1-piperidyl)ethyl]piperidine-4-carboxamide CAS Name: 1-[3-(phenylthio)-2-pyrazinyl]-N-[2-(1-piperidinyl)ethyl]-4-piperidinecarboxamide IUPAC Name: 1-(3-phenylsulfanylpyrazin-2-yl)-N-(2-piperidin-1-ylethyl)piperidine-4-carboxamide Traditional Name: 1-[3-(phenylthio)pyrazin-2-yl]-N-(2-piperidinoethyl)isonipecotamide Formula: C23H31N5OS MolecularWeight: 425.59014

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCNC(=O)C2CCN(CC2)C3=NC=CN=C3SC4=CC=CC=C4

Isomeric SMILES

C1CCN(CC1)CCNC(=O)C2CCN(CC2)C3=NC=CN=C3SC4=CC=CC=C4

InChI

InChI=1S/C23H31N5OS/c29-22(25-13-18-27-14-5-2-6-15-27)19-9-16-28(17-10-19)21-23(26-12-11-24-21)30-20-7-3-1-4-8-20/h1,3-4,7-8,11-12,19H,2,5-6,9-10,13-18H2,(H,25,29)