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

Systemtic Name: 1-[3-(3-methylphenyl)sulfanylpyrazin-2-yl]-N-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide Openeye Name: 1-[3-(m-tolylsulfanyl)pyrazin-2-yl]-N-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide CAS Name: 1-[3-[(3-methylphenyl)thio]-2-pyrazinyl]-N-(3,4,5-trimethoxyphenyl)-3-piperidinecarboxamide IUPAC Name: 1-[3-(3-methylphenyl)sulfanylpyrazin-2-yl]-N-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide Traditional Name: 1-[3-(m-tolylthio)pyrazin-2-yl]-N-(3,4,5-trimethoxyphenyl)nipecotamide Formula: C26H30N4O4S MolecularWeight: 494.6058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)SC2=NC=CN=C2N3CCCC(C3)C(=O)NC4=CC(=C(C(=C4)OC)OC)OC

Isomeric SMILES

CC1=CC(=CC=C1)SC2=NC=CN=C2N3CCCC(C3)C(=O)NC4=CC(=C(C(=C4)OC)OC)OC

InChI

InChI=1S/C26H30N4O4S/c1-17-7-5-9-20(13-17)35-26-24(27-10-11-28-26)30-12-6-8-18(16-30)25(31)29-19-14-21(32-2)23(34-4)22(15-19)33-3/h5,7,9-11,13-15,18H,6,8,12,16H2,1-4H3,(H,29,31)