N-(4-ethoxyphenyl)-1-(3-phenylsulfanylpyrazin-2-yl)piperidine-3-carboxamide

Systemtic Name: N-(4-ethoxyphenyl)-1-(3-phenylsulfanylpyrazin-2-yl)piperidine-3-carboxamide Openeye Name: N-(4-ethoxyphenyl)-1-(3-phenylsulfanylpyrazin-2-yl)piperidine-3-carboxamide CAS Name: N-(4-ethoxyphenyl)-1-[3-(phenylthio)-2-pyrazinyl]-3-piperidinecarboxamide IUPAC Name: N-(4-ethoxyphenyl)-1-(3-phenylsulfanylpyrazin-2-yl)piperidine-3-carboxamide Traditional Name: 1-[3-(phenylthio)pyrazin-2-yl]-N-p-phenetyl-nipecotamide Formula: C24H26N4O2S MolecularWeight: 434.55384

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)C2CCCN(C2)C3=NC=CN=C3SC4=CC=CC=C4

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)C2CCCN(C2)C3=NC=CN=C3SC4=CC=CC=C4

InChI

InChI=1S/C24H26N4O2S/c1-2-30-20-12-10-19(11-13-20)27-23(29)18-7-6-16-28(17-18)22-24(26-15-14-25-22)31-21-8-4-3-5-9-21/h3-5,8-15,18H,2,6-7,16-17H2,1H3,(H,27,29)