N'-[(1R,2S)-1-(4-ethylpiperazin-1-yl)-1-thiophen-2-yl-propan-2-yl]-N-(pyridin-3-ylmethyl)ethanediamide

Systemtic Name: N'-[(1R,2S)-1-(4-ethylpiperazin-1-yl)-1-thiophen-2-yl-propan-2-yl]-N-(pyridin-3-ylmethyl)ethanediamide Openeye Name: N'-[(1S,2R)-2-(4-ethylpiperazin-1-yl)-1-methyl-2-(2-thienyl)ethyl]-N-(3-pyridylmethyl)oxamide CAS Name: N'-[(1R,2S)-1-(4-ethyl-1-piperazinyl)-1-thiophen-2-ylpropan-2-yl]-N-(3-pyridinylmethyl)oxamide IUPAC Name: N'-[(1R,2S)-1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]-N-(pyridin-3-ylmethyl)oxamide Traditional Name: N'-[(1S,2R)-2-(4-ethylpiperazino)-1-methyl-2-(2-thienyl)ethyl]-N-(3-pyridylmethyl)oxamide Formula: C21H29N5O2S MolecularWeight: 415.55226

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C(C2=CC=CS2)C(C)NC(=O)C(=O)NCC3=CN=CC=C3

Isomeric SMILES

CCN1CCN(CC1)[C@@H](C2=CC=CS2)[C@H](C)NC(=O)C(=O)NCC3=CN=CC=C3

InChI

InChI=1S/C21H29N5O2S/c1-3-25-9-11-26(12-10-25)19(18-7-5-13-29-18)16(2)24-21(28)20(27)23-15-17-6-4-8-22-14-17/h4-8,13-14,16,19H,3,9-12,15H2,1-2H3,(H,23,27)(H,24,28)/t16-,19+/m0/s1