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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H28N4O3S/c1-17-6-4-8-20(14-17)33-25-23(26-11-12-27-25)29-13-5-7-18(16-29)24(30)28-19-9-10-21(31-2)22(15-19)32-3/h4,6,8-12,14-15,18H,5,7,13,16H2,1-3H3,(H,28,30)