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

Systemtic Name: N-(3,4-dimethoxyphenyl)-1-[3-(4-methylphenyl)sulfanylpyrazin-2-yl]piperidine-3-carboxamide Openeye Name: N-(3,4-dimethoxyphenyl)-1-[3-(p-tolylsulfanyl)pyrazin-2-yl]piperidine-3-carboxamide CAS Name: N-(3,4-dimethoxyphenyl)-1-[3-[(4-methylphenyl)thio]-2-pyrazinyl]-3-piperidinecarboxamide IUPAC Name: N-(3,4-dimethoxyphenyl)-1-[3-(4-methylphenyl)sulfanylpyrazin-2-yl]piperidine-3-carboxamide Traditional Name: N-(3,4-dimethoxyphenyl)-1-[3-(p-tolylthio)pyrazin-2-yl]nipecotamide Formula: C25H28N4O3S MolecularWeight: 464.57982

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H28N4O3S/c1-17-6-9-20(10-7-17)33-25-23(26-12-13-27-25)29-14-4-5-18(16-29)24(30)28-19-8-11-21(31-2)22(15-19)32-3/h6-13,15,18H,4-5,14,16H2,1-3H3,(H,28,30)