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

Systemtic Name: N'-[(1S,2S)-1-(4-methylpiperazin-1-yl)-1-thiophen-2-yl-propan-2-yl]-N-(pyridin-3-ylmethyl)ethanediamide Openeye Name: N'-[(1S,2S)-1-methyl-2-(4-methylpiperazin-1-yl)-2-(2-thienyl)ethyl]-N-(3-pyridylmethyl)oxamide CAS Name: N'-[(1S,2S)-1-(4-methyl-1-piperazinyl)-1-thiophen-2-ylpropan-2-yl]-N-(3-pyridinylmethyl)oxamide IUPAC Name: N'-[(1S,2S)-1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]-N-(pyridin-3-ylmethyl)oxamide Traditional Name: N'-[(1S,2S)-1-methyl-2-(4-methylpiperazino)-2-(2-thienyl)ethyl]-N-(3-pyridylmethyl)oxamide Formula: C20H27N5O2S MolecularWeight: 401.52568

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=CC=CS1)N2CCN(CC2)C)NC(=O)C(=O)NCC3=CN=CC=C3

Isomeric SMILES

C[C@@H]([C@@H](C1=CC=CS1)N2CCN(CC2)C)NC(=O)C(=O)NCC3=CN=CC=C3

InChI

InChI=1S/C20H27N5O2S/c1-15(23-20(27)19(26)22-14-16-5-3-7-21-13-16)18(17-6-4-12-28-17)25-10-8-24(2)9-11-25/h3-7,12-13,15,18H,8-11,14H2,1-2H3,(H,22,26)(H,23,27)/t15-,18-/m0/s1