N-[(2,4-dimethoxyphenyl)methyl]-1-(3-phenylsulfanylpyrazin-2-yl)piperidine-3-carboxamide

Systemtic Name: N-[(2,4-dimethoxyphenyl)methyl]-1-(3-phenylsulfanylpyrazin-2-yl)piperidine-3-carboxamide Openeye Name: N-[(2,4-dimethoxyphenyl)methyl]-1-(3-phenylsulfanylpyrazin-2-yl)piperidine-3-carboxamide CAS Name: N-[(2,4-dimethoxyphenyl)methyl]-1-[3-(phenylthio)-2-pyrazinyl]-3-piperidinecarboxamide IUPAC Name: N-[(2,4-dimethoxyphenyl)methyl]-1-(3-phenylsulfanylpyrazin-2-yl)piperidine-3-carboxamide Traditional Name: N-(2,4-dimethoxybenzyl)-1-[3-(phenylthio)pyrazin-2-yl]nipecotamide Formula: C25H28N4O3S MolecularWeight: 464.57982

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)CNC(=O)C2CCCN(C2)C3=NC=CN=C3SC4=CC=CC=C4)OC

Isomeric SMILES

COC1=CC(=C(C=C1)CNC(=O)C2CCCN(C2)C3=NC=CN=C3SC4=CC=CC=C4)OC

InChI

InChI=1S/C25H28N4O3S/c1-31-20-11-10-18(22(15-20)32-2)16-28-24(30)19-7-6-14-29(17-19)23-25(27-13-12-26-23)33-21-8-4-3-5-9-21/h3-5,8-13,15,19H,6-7,14,16-17H2,1-2H3,(H,28,30)