N-(3-cyanothiophen-2-yl)-2-(4-methylpiperazin-1-yl)ethanamide; ethanedioic acid

Systemtic Name: N-(3-cyanothiophen-2-yl)-2-(4-methylpiperazin-1-yl)ethanamide; ethanedioic acid Openeye Name: N-(3-cyano-2-thienyl)-2-(4-methylpiperazin-1-yl)acetamide; oxalic acid CAS Name: N-(3-cyano-2-thiophenyl)-2-(4-methyl-1-piperazinyl)acetamide; oxalic acid IUPAC Name: N-(3-cyanothiophen-2-yl)-2-(4-methylpiperazin-1-yl)acetamide; oxalic acid Traditional Name: N-(3-cyano-2-thienyl)-2-(4-methylpiperazino)acetamide; oxalic acid Formula: C16H20N4O9S MolecularWeight: 444.4164

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CC(=O)NC2=C(C=CS2)C#N.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

Isomeric SMILES

CN1CCN(CC1)CC(=O)NC2=C(C=CS2)C#N.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C12H16N4OS.2C2H2O4/c1-15-3-5-16(6-4-15)9-11(17)14-12-10(8-13)2-7-18-12;2*3-1(4)2(5)6/h2,7H,3-6,9H2,1H3,(H,14,17);2*(H,3,4)(H,5,6)