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

Systemtic Name: N-(2-cyanophenyl)-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-(2-cyanophenyl)oxamide CAS Name: N-(2-cyanophenyl)-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-(2-cyanophenyl)oxamide Traditional Name: N'-[2-(4-benzylpiperazino)-1-methyl-2-(2-thienyl)ethyl]-N-(2-cyanophenyl)oxamide Formula: C27H29N5O2S MolecularWeight: 487.61646

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=CC=CS1)N2CCN(CC2)CC3=CC=CC=C3)NC(=O)C(=O)NC4=CC=CC=C4C#N

Isomeric SMILES

CC(C(C1=CC=CS1)N2CCN(CC2)CC3=CC=CC=C3)NC(=O)C(=O)NC4=CC=CC=C4C#N

InChI

InChI=1S/C27H29N5O2S/c1-20(29-26(33)27(34)30-23-11-6-5-10-22(23)18-28)25(24-12-7-17-35-24)32-15-13-31(14-16-32)19-21-8-3-2-4-9-21/h2-12,17,20,25H,13-16,19H2,1H3,(H,29,33)(H,30,34)