N-[(4-ethylphenyl)methyl]-1-(3-phenylsulfanylpyrazin-2-yl)piperidine-3-carboxamide

Systemtic Name: N-[(4-ethylphenyl)methyl]-1-(3-phenylsulfanylpyrazin-2-yl)piperidine-3-carboxamide Openeye Name: N-[(4-ethylphenyl)methyl]-1-(3-phenylsulfanylpyrazin-2-yl)piperidine-3-carboxamide CAS Name: N-[(4-ethylphenyl)methyl]-1-[3-(phenylthio)-2-pyrazinyl]-3-piperidinecarboxamide IUPAC Name: N-[(4-ethylphenyl)methyl]-1-(3-phenylsulfanylpyrazin-2-yl)piperidine-3-carboxamide Traditional Name: N-(4-ethylbenzyl)-1-[3-(phenylthio)pyrazin-2-yl]nipecotamide Formula: C25H28N4OS MolecularWeight: 432.58102

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CNC(=O)C2CCCN(C2)C3=NC=CN=C3SC4=CC=CC=C4

Isomeric SMILES

CCC1=CC=C(C=C1)CNC(=O)C2CCCN(C2)C3=NC=CN=C3SC4=CC=CC=C4

InChI

InChI=1S/C25H28N4OS/c1-2-19-10-12-20(13-11-19)17-28-24(30)21-7-6-16-29(18-21)23-25(27-15-14-26-23)31-22-8-4-3-5-9-22/h3-5,8-15,21H,2,6-7,16-18H2,1H3,(H,28,30)