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

Systemtic Name: N-cycloheptyl-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-cycloheptyl-oxamide CAS Name: N-cycloheptyl-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-cycloheptyloxamide Traditional Name: N'-[2-(4-benzylpiperazino)-1-methyl-2-(2-thienyl)ethyl]-N-cycloheptyl-oxamide Formula: C27H38N4O2S MolecularWeight: 482.68122

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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)NC4CCCCCC4

Isomeric SMILES

CC(C(C1=CC=CS1)N2CCN(CC2)CC3=CC=CC=C3)NC(=O)C(=O)NC4CCCCCC4

InChI

InChI=1S/C27H38N4O2S/c1-21(28-26(32)27(33)29-23-12-7-2-3-8-13-23)25(24-14-9-19-34-24)31-17-15-30(16-18-31)20-22-10-5-4-6-11-22/h4-6,9-11,14,19,21,23,25H,2-3,7-8,12-13,15-18,20H2,1H3,(H,28,32)(H,29,33)