N-(4-ethylphenyl)-N'-[1-[4-(phenylmethyl)piperazin-1-yl]-1-thiophen-2-yl-propan-2-yl]ethanediamide

Systemtic Name: N-(4-ethylphenyl)-N'-[1-[4-(phenylmethyl)piperazin-1-yl]-1-thiophen-2-yl-propan-2-yl]ethanediamide Openeye Name: N'-[2-(4-benzylpiperazin-1-yl)-1-methyl-2-(2-thienyl)ethyl]-N-(4-ethylphenyl)oxamide CAS Name: N-(4-ethylphenyl)-N'-[1-[4-(phenylmethyl)-1-piperazinyl]-1-thiophen-2-ylpropan-2-yl]oxamide IUPAC Name: N'-[1-(4-benzylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]-N-(4-ethylphenyl)oxamide Traditional Name: N'-[2-(4-benzylpiperazino)-1-methyl-2-(2-thienyl)ethyl]-N-(4-ethylphenyl)oxamide Formula: C28H34N4O2S MolecularWeight: 490.66016

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C(=O)NC(C)C(C2=CC=CS2)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)C(=O)NC(C)C(C2=CC=CS2)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C28H34N4O2S/c1-3-22-11-13-24(14-12-22)30-28(34)27(33)29-21(2)26(25-10-7-19-35-25)32-17-15-31(16-18-32)20-23-8-5-4-6-9-23/h4-14,19,21,26H,3,15-18,20H2,1-2H3,(H,29,33)(H,30,34)