N-(3,5-dimethylphenyl)-1-(3-phenylsulfanylpyrazin-2-yl)piperidine-3-carboxamide

Systemtic Name: N-(3,5-dimethylphenyl)-1-(3-phenylsulfanylpyrazin-2-yl)piperidine-3-carboxamide Openeye Name: N-(3,5-dimethylphenyl)-1-(3-phenylsulfanylpyrazin-2-yl)piperidine-3-carboxamide CAS Name: N-(3,5-dimethylphenyl)-1-[3-(phenylthio)-2-pyrazinyl]-3-piperidinecarboxamide IUPAC Name: N-(3,5-dimethylphenyl)-1-(3-phenylsulfanylpyrazin-2-yl)piperidine-3-carboxamide Traditional Name: N-(3,5-dimethylphenyl)-1-[3-(phenylthio)pyrazin-2-yl]nipecotamide Formula: C24H26N4OS MolecularWeight: 418.55444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)C2CCCN(C2)C3=NC=CN=C3SC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)C2CCCN(C2)C3=NC=CN=C3SC4=CC=CC=C4)C

InChI

InChI=1S/C24H26N4OS/c1-17-13-18(2)15-20(14-17)27-23(29)19-7-6-12-28(16-19)22-24(26-11-10-25-22)30-21-8-4-3-5-9-21/h3-5,8-11,13-15,19H,6-7,12,16H2,1-2H3,(H,27,29)