1-(3-phenylsulfanylpyrazin-2-yl)-N-(3-pyrrolidin-1-ylpropyl)piperidine-3-carboxamide

Systemtic Name: 1-(3-phenylsulfanylpyrazin-2-yl)-N-(3-pyrrolidin-1-ylpropyl)piperidine-3-carboxamide Openeye Name: 1-(3-phenylsulfanylpyrazin-2-yl)-N-(3-pyrrolidin-1-ylpropyl)piperidine-3-carboxamide CAS Name: 1-[3-(phenylthio)-2-pyrazinyl]-N-[3-(1-pyrrolidinyl)propyl]-3-piperidinecarboxamide IUPAC Name: 1-(3-phenylsulfanylpyrazin-2-yl)-N-(3-pyrrolidin-1-ylpropyl)piperidine-3-carboxamide Traditional Name: 1-[3-(phenylthio)pyrazin-2-yl]-N-(3-pyrrolidinopropyl)nipecotamide Formula: C23H31N5OS MolecularWeight: 425.59014

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCCNC(=O)C2CCCN(C2)C3=NC=CN=C3SC4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)CCCNC(=O)C2CCCN(C2)C3=NC=CN=C3SC4=CC=CC=C4

InChI

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