N-(2-methylbutan-2-yl)-1-(3-phenylsulfanylpyrazin-2-yl)piperidine-3-carboxamide

Systemtic Name: N-(2-methylbutan-2-yl)-1-(3-phenylsulfanylpyrazin-2-yl)piperidine-3-carboxamide Openeye Name: N-(1,1-dimethylpropyl)-1-(3-phenylsulfanylpyrazin-2-yl)piperidine-3-carboxamide CAS Name: N-(2-methylbutan-2-yl)-1-[3-(phenylthio)-2-pyrazinyl]-3-piperidinecarboxamide IUPAC Name: N-(2-methylbutan-2-yl)-1-(3-phenylsulfanylpyrazin-2-yl)piperidine-3-carboxamide Traditional Name: N-tert-amyl-1-[3-(phenylthio)pyrazin-2-yl]nipecotamide Formula: C21H28N4OS MolecularWeight: 384.53822

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)NC(=O)C1CCCN(C1)C2=NC=CN=C2SC3=CC=CC=C3

Isomeric SMILES

CCC(C)(C)NC(=O)C1CCCN(C1)C2=NC=CN=C2SC3=CC=CC=C3

InChI

InChI=1S/C21H28N4OS/c1-4-21(2,3)24-19(26)16-9-8-14-25(15-16)18-20(23-13-12-22-18)27-17-10-6-5-7-11-17/h5-7,10-13,16H,4,8-9,14-15H2,1-3H3,(H,24,26)