N-(4-bromophenyl)-1-(3-phenylsulfanylpyrazin-2-yl)piperidine-3-carboxamide

Systemtic Name: N-(4-bromophenyl)-1-(3-phenylsulfanylpyrazin-2-yl)piperidine-3-carboxamide Openeye Name: N-(4-bromophenyl)-1-(3-phenylsulfanylpyrazin-2-yl)piperidine-3-carboxamide CAS Name: N-(4-bromophenyl)-1-[3-(phenylthio)-2-pyrazinyl]-3-piperidinecarboxamide IUPAC Name: N-(4-bromophenyl)-1-(3-phenylsulfanylpyrazin-2-yl)piperidine-3-carboxamide Traditional Name: N-(4-bromophenyl)-1-[3-(phenylthio)pyrazin-2-yl]nipecotamide Formula: C22H21BrN4OS MolecularWeight: 469.39734

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=NC=CN=C2SC3=CC=CC=C3)C(=O)NC4=CC=C(C=C4)Br

Isomeric SMILES

C1CC(CN(C1)C2=NC=CN=C2SC3=CC=CC=C3)C(=O)NC4=CC=C(C=C4)Br

InChI

InChI=1S/C22H21BrN4OS/c23-17-8-10-18(11-9-17)26-21(28)16-5-4-14-27(15-16)20-22(25-13-12-24-20)29-19-6-2-1-3-7-19/h1-3,6-13,16H,4-5,14-15H2,(H,26,28)