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

Systemtic Name: N-[(3-chlorophenyl)methyl]-1-(3-phenylsulfanylpyrazin-2-yl)piperidine-3-carboxamide Openeye Name: N-[(3-chlorophenyl)methyl]-1-(3-phenylsulfanylpyrazin-2-yl)piperidine-3-carboxamide CAS Name: N-[(3-chlorophenyl)methyl]-1-[3-(phenylthio)-2-pyrazinyl]-3-piperidinecarboxamide IUPAC Name: N-[(3-chlorophenyl)methyl]-1-(3-phenylsulfanylpyrazin-2-yl)piperidine-3-carboxamide Traditional Name: N-(3-chlorobenzyl)-1-[3-(phenylthio)pyrazin-2-yl]nipecotamide Formula: C23H23ClN4OS MolecularWeight: 438.97292

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=NC=CN=C2SC3=CC=CC=C3)C(=O)NCC4=CC(=CC=C4)Cl

Isomeric SMILES

C1CC(CN(C1)C2=NC=CN=C2SC3=CC=CC=C3)C(=O)NCC4=CC(=CC=C4)Cl

InChI

InChI=1S/C23H23ClN4OS/c24-19-8-4-6-17(14-19)15-27-22(29)18-7-5-13-28(16-18)21-23(26-12-11-25-21)30-20-9-2-1-3-10-20/h1-4,6,8-12,14,18H,5,7,13,15-16H2,(H,27,29)