1-[3-(4-methylphenyl)sulfanylpyrazin-2-yl]-N-(3-pyrrolidin-1-ylpropyl)piperidine-3-carboxamide

Systemtic Name: 1-[3-(4-methylphenyl)sulfanylpyrazin-2-yl]-N-(3-pyrrolidin-1-ylpropyl)piperidine-3-carboxamide Openeye Name: 1-[3-(p-tolylsulfanyl)pyrazin-2-yl]-N-(3-pyrrolidin-1-ylpropyl)piperidine-3-carboxamide CAS Name: 1-[3-[(4-methylphenyl)thio]-2-pyrazinyl]-N-[3-(1-pyrrolidinyl)propyl]-3-piperidinecarboxamide IUPAC Name: 1-[3-(4-methylphenyl)sulfanylpyrazin-2-yl]-N-(3-pyrrolidin-1-ylpropyl)piperidine-3-carboxamide Traditional Name: 1-[3-(p-tolylthio)pyrazin-2-yl]-N-(3-pyrrolidinopropyl)nipecotamide Formula: C24H33N5OS MolecularWeight: 439.61672

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=NC=CN=C2N3CCCC(C3)C(=O)NCCCN4CCCC4

Isomeric SMILES

CC1=CC=C(C=C1)SC2=NC=CN=C2N3CCCC(C3)C(=O)NCCCN4CCCC4

InChI

InChI=1S/C24H33N5OS/c1-19-7-9-21(10-8-19)31-24-22(25-12-13-27-24)29-17-4-6-20(18-29)23(30)26-11-5-16-28-14-2-3-15-28/h7-10,12-13,20H,2-6,11,14-18H2,1H3,(H,26,30)