N-(2,5-dimethylphenyl)-1-[3-(4-methylphenyl)sulfanylpyrazin-2-yl]piperidine-3-carboxamide

Systemtic Name: N-(2,5-dimethylphenyl)-1-[3-(4-methylphenyl)sulfanylpyrazin-2-yl]piperidine-3-carboxamide Openeye Name: N-(2,5-dimethylphenyl)-1-[3-(p-tolylsulfanyl)pyrazin-2-yl]piperidine-3-carboxamide CAS Name: N-(2,5-dimethylphenyl)-1-[3-[(4-methylphenyl)thio]-2-pyrazinyl]-3-piperidinecarboxamide IUPAC Name: N-(2,5-dimethylphenyl)-1-[3-(4-methylphenyl)sulfanylpyrazin-2-yl]piperidine-3-carboxamide Traditional Name: N-(2,5-dimethylphenyl)-1-[3-(p-tolylthio)pyrazin-2-yl]nipecotamide Formula: C25H28N4OS MolecularWeight: 432.58102

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=NC=CN=C2N3CCCC(C3)C(=O)NC4=C(C=CC(=C4)C)C

Isomeric SMILES

CC1=CC=C(C=C1)SC2=NC=CN=C2N3CCCC(C3)C(=O)NC4=C(C=CC(=C4)C)C

InChI

InChI=1S/C25H28N4OS/c1-17-7-10-21(11-8-17)31-25-23(26-12-13-27-25)29-14-4-5-20(16-29)24(30)28-22-15-18(2)6-9-19(22)3/h6-13,15,20H,4-5,14,16H2,1-3H3,(H,28,30)