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

Systemtic Name: N-[(2-chlorophenyl)methyl]-1-(3-phenylsulfanylpyrazin-2-yl)piperidine-3-carboxamide Openeye Name: N-[(2-chlorophenyl)methyl]-1-(3-phenylsulfanylpyrazin-2-yl)piperidine-3-carboxamide CAS Name: N-[(2-chlorophenyl)methyl]-1-[3-(phenylthio)-2-pyrazinyl]-3-piperidinecarboxamide IUPAC Name: N-[(2-chlorophenyl)methyl]-1-(3-phenylsulfanylpyrazin-2-yl)piperidine-3-carboxamide Traditional Name: N-(2-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=C4Cl

Isomeric SMILES

C1CC(CN(C1)C2=NC=CN=C2SC3=CC=CC=C3)C(=O)NCC4=CC=CC=C4Cl

InChI

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