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

Systemtic Name: N-[(4-methylphenyl)methyl]-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-(p-tolylmethyl)oxamide CAS Name: N-[(4-methylphenyl)methyl]-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-methylphenyl)methyl]oxamide Traditional Name: N'-[2-(4-benzylpiperazino)-1-methyl-2-(2-thienyl)ethyl]-N-(4-methylbenzyl)oxamide Formula: C28H34N4O2S MolecularWeight: 490.66016

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)C(=O)NC(C)C(C2=CC=CS2)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)C(=O)NC(C)C(C2=CC=CS2)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C28H34N4O2S/c1-21-10-12-23(13-11-21)19-29-27(33)28(34)30-22(2)26(25-9-6-18-35-25)32-16-14-31(15-17-32)20-24-7-4-3-5-8-24/h3-13,18,22,26H,14-17,19-20H2,1-2H3,(H,29,33)(H,30,34)