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

Systemtic Name: N'-(3-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'-(3-methylsulfanylphenyl)oxamide CAS Name: N'-[3-(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'-(3-methylsulfanylphenyl)oxamide Traditional Name: N-[2-(4-benzylpiperazino)-2-(3-pyridyl)ethyl]-N'-[3-(methylthio)phenyl]oxamide Formula: C27H31N5O2S MolecularWeight: 489.63234

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=O)C(=O)NCC(C2=CN=CC=C2)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=O)C(=O)NCC(C2=CN=CC=C2)N3CCN(CC3)CC4=CC=CC=C4

InChI

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