N-(1,3-benzodioxol-5-ylmethyl)-1-[3-(4-methylphenyl)sulfanylpyrazin-2-yl]piperidine-3-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-1-[3-(4-methylphenyl)sulfanylpyrazin-2-yl]piperidine-3-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-1-[3-(p-tolylsulfanyl)pyrazin-2-yl]piperidine-3-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-1-[3-[(4-methylphenyl)thio]-2-pyrazinyl]-3-piperidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-1-[3-(4-methylphenyl)sulfanylpyrazin-2-yl]piperidine-3-carboxamide Traditional Name: N-piperonyl-1-[3-(p-tolylthio)pyrazin-2-yl]nipecotamide Formula: C25H26N4O3S MolecularWeight: 462.56394

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=NC=CN=C2N3CCCC(C3)C(=O)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=CC=C(C=C1)SC2=NC=CN=C2N3CCCC(C3)C(=O)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H26N4O3S/c1-17-4-7-20(8-5-17)33-25-23(26-10-11-27-25)29-12-2-3-19(15-29)24(30)28-14-18-6-9-21-22(13-18)32-16-31-21/h4-11,13,19H,2-3,12,14-16H2,1H3,(H,28,30)