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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)SC2=NC=CN=C2N3CCC(CC3)C(=O)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=CC(=CC=C1)SC2=NC=CN=C2N3CCC(CC3)C(=O)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H26N4O3S/c1-17-3-2-4-20(13-17)33-25-23(26-9-10-27-25)29-11-7-19(8-12-29)24(30)28-15-18-5-6-21-22(14-18)32-16-31-21/h2-6,9-10,13-14,19H,7-8,11-12,15-16H2,1H3,(H,28,30)