1-(3-phenylsulfanylpyrazin-2-yl)-N-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide

Systemtic Name: 1-(3-phenylsulfanylpyrazin-2-yl)-N-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide Openeye Name: 1-(3-phenylsulfanylpyrazin-2-yl)-N-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide CAS Name: 1-[3-(phenylthio)-2-pyrazinyl]-N-(3,4,5-trimethoxyphenyl)-3-piperidinecarboxamide IUPAC Name: 1-(3-phenylsulfanylpyrazin-2-yl)-N-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide Traditional Name: 1-[3-(phenylthio)pyrazin-2-yl]-N-(3,4,5-trimethoxyphenyl)nipecotamide Formula: C25H28N4O4S MolecularWeight: 480.57922

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)NC(=O)C2CCCN(C2)C3=NC=CN=C3SC4=CC=CC=C4

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)NC(=O)C2CCCN(C2)C3=NC=CN=C3SC4=CC=CC=C4

InChI

InChI=1S/C25H28N4O4S/c1-31-20-14-18(15-21(32-2)22(20)33-3)28-24(30)17-8-7-13-29(16-17)23-25(27-12-11-26-23)34-19-9-5-4-6-10-19/h4-6,9-12,14-15,17H,7-8,13,16H2,1-3H3,(H,28,30)