N-[2-(cyclohexen-1-yl)ethyl]-1-(3-phenylsulfanylpyrazin-2-yl)piperidine-3-carboxamide

Systemtic Name: N-[2-(cyclohexen-1-yl)ethyl]-1-(3-phenylsulfanylpyrazin-2-yl)piperidine-3-carboxamide Openeye Name: N-[2-(cyclohexen-1-yl)ethyl]-1-(3-phenylsulfanylpyrazin-2-yl)piperidine-3-carboxamide CAS Name: N-[2-(1-cyclohexenyl)ethyl]-1-[3-(phenylthio)-2-pyrazinyl]-3-piperidinecarboxamide IUPAC Name: N-[2-(cyclohexen-1-yl)ethyl]-1-(3-phenylsulfanylpyrazin-2-yl)piperidine-3-carboxamide Traditional Name: N-[2-(cyclohexen-1-yl)ethyl]-1-[3-(phenylthio)pyrazin-2-yl]nipecotamide Formula: C24H30N4OS MolecularWeight: 422.5862

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC1)CCNC(=O)C2CCCN(C2)C3=NC=CN=C3SC4=CC=CC=C4

Isomeric SMILES

C1CCC(=CC1)CCNC(=O)C2CCCN(C2)C3=NC=CN=C3SC4=CC=CC=C4

InChI

InChI=1S/C24H30N4OS/c29-23(26-14-13-19-8-3-1-4-9-19)20-10-7-17-28(18-20)22-24(27-16-15-25-22)30-21-11-5-2-6-12-21/h2,5-6,8,11-12,15-16,20H,1,3-4,7,9-10,13-14,17-18H2,(H,26,29)