N'-(5-chloranyl-2-cyano-phenyl)-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-yl-ethyl]ethanediamide

Systemtic Name: N'-(5-chloranyl-2-cyano-phenyl)-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-yl-ethyl]ethanediamide Openeye Name: N'-(5-chloro-2-cyano-phenyl)-N-[2-(4-methylpiperazin-1-yl)-2-(3-thienyl)ethyl]oxamide CAS Name: N'-(5-chloro-2-cyanophenyl)-N-[2-(4-methyl-1-piperazinyl)-2-(3-thiophenyl)ethyl]oxamide IUPAC Name: N'-(5-chloro-2-cyanophenyl)-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]oxamide Traditional Name: N'-(5-chloro-2-cyano-phenyl)-N-[2-(4-methylpiperazino)-2-(3-thienyl)ethyl]oxamide Formula: C20H22ClN5O2S MolecularWeight: 431.93898

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(CNC(=O)C(=O)NC2=C(C=CC(=C2)Cl)C#N)C3=CSC=C3

Isomeric SMILES

CN1CCN(CC1)C(CNC(=O)C(=O)NC2=C(C=CC(=C2)Cl)C#N)C3=CSC=C3

InChI

InChI=1S/C20H22ClN5O2S/c1-25-5-7-26(8-6-25)18(15-4-9-29-13-15)12-23-19(27)20(28)24-17-10-16(21)3-2-14(17)11-22/h2-4,9-10,13,18H,5-8,12H2,1H3,(H,23,27)(H,24,28)