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

Systemtic Name: N-(2,5-diethoxyphenyl)-1-[3-(3-methylphenyl)sulfanylpyrazin-2-yl]piperidine-3-carboxamide Openeye Name: N-(2,5-diethoxyphenyl)-1-[3-(m-tolylsulfanyl)pyrazin-2-yl]piperidine-3-carboxamide CAS Name: N-(2,5-diethoxyphenyl)-1-[3-[(3-methylphenyl)thio]-2-pyrazinyl]-3-piperidinecarboxamide IUPAC Name: N-(2,5-diethoxyphenyl)-1-[3-(3-methylphenyl)sulfanylpyrazin-2-yl]piperidine-3-carboxamide Traditional Name: N-(2,5-diethoxyphenyl)-1-[3-(m-tolylthio)pyrazin-2-yl]nipecotamide Formula: C27H32N4O3S MolecularWeight: 492.63298

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H32N4O3S/c1-4-33-21-11-12-24(34-5-2)23(17-21)30-26(32)20-9-7-15-31(18-20)25-27(29-14-13-28-25)35-22-10-6-8-19(3)16-22/h6,8,10-14,16-17,20H,4-5,7,9,15,18H2,1-3H3,(H,30,32)