N-(2-chloranyl-4,6-dimethoxy-phenyl)-1-[3-(4-methylphenyl)sulfanylpyrazin-2-yl]piperidine-3-carboxamide

Systemtic Name: N-(2-chloranyl-4,6-dimethoxy-phenyl)-1-[3-(4-methylphenyl)sulfanylpyrazin-2-yl]piperidine-3-carboxamide Openeye Name: N-(2-chloro-4,6-dimethoxy-phenyl)-1-[3-(p-tolylsulfanyl)pyrazin-2-yl]piperidine-3-carboxamide CAS Name: N-(2-chloro-4,6-dimethoxyphenyl)-1-[3-[(4-methylphenyl)thio]-2-pyrazinyl]-3-piperidinecarboxamide IUPAC Name: N-(2-chloro-4,6-dimethoxyphenyl)-1-[3-(4-methylphenyl)sulfanylpyrazin-2-yl]piperidine-3-carboxamide Traditional Name: N-(2-chloro-4,6-dimethoxy-phenyl)-1-[3-(p-tolylthio)pyrazin-2-yl]nipecotamide Formula: C25H27ClN4O3S MolecularWeight: 499.02488

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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=C(C=C4Cl)OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)SC2=NC=CN=C2N3CCCC(C3)C(=O)NC4=C(C=C(C=C4Cl)OC)OC

InChI

InChI=1S/C25H27ClN4O3S/c1-16-6-8-19(9-7-16)34-25-23(27-10-11-28-25)30-12-4-5-17(15-30)24(31)29-22-20(26)13-18(32-2)14-21(22)33-3/h6-11,13-14,17H,4-5,12,15H2,1-3H3,(H,29,31)