N'-(2-methylsulfanylphenyl)-N-[2-[4-(phenylmethyl)piperazin-1-yl]-2-pyridin-3-yl-ethyl]ethanediamide

Systemtic Name: N'-(2-methylsulfanylphenyl)-N-[2-[4-(phenylmethyl)piperazin-1-yl]-2-pyridin-3-yl-ethyl]ethanediamide Openeye Name: N-[2-(4-benzylpiperazin-1-yl)-2-(3-pyridyl)ethyl]-N'-(2-methylsulfanylphenyl)oxamide CAS Name: N'-[2-(methylthio)phenyl]-N-[2-[4-(phenylmethyl)-1-piperazinyl]-2-(3-pyridinyl)ethyl]oxamide IUPAC Name: N-[2-(4-benzylpiperazin-1-yl)-2-pyridin-3-ylethyl]-N'-(2-methylsulfanylphenyl)oxamide Traditional Name: N-[2-(4-benzylpiperazino)-2-(3-pyridyl)ethyl]-N'-[2-(methylthio)phenyl]oxamide Formula: C27H31N5O2S MolecularWeight: 489.63234

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1NC(=O)C(=O)NCC(C2=CN=CC=C2)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CSC1=CC=CC=C1NC(=O)C(=O)NCC(C2=CN=CC=C2)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C27H31N5O2S/c1-35-25-12-6-5-11-23(25)30-27(34)26(33)29-19-24(22-10-7-13-28-18-22)32-16-14-31(15-17-32)20-21-8-3-2-4-9-21/h2-13,18,24H,14-17,19-20H2,1H3,(H,29,33)(H,30,34)