N-(3-cyanothiophen-2-yl)-2-[4-(2-ethoxyphenyl)piperazin-1-yl]ethanamide; ethanedioic acid

Systemtic Name: N-(3-cyanothiophen-2-yl)-2-[4-(2-ethoxyphenyl)piperazin-1-yl]ethanamide; ethanedioic acid Openeye Name: N-(3-cyano-2-thienyl)-2-[4-(2-ethoxyphenyl)piperazin-1-yl]acetamide; oxalic acid CAS Name: N-(3-cyano-2-thiophenyl)-2-[4-(2-ethoxyphenyl)-1-piperazinyl]acetamide; oxalic acid IUPAC Name: N-(3-cyanothiophen-2-yl)-2-[4-(2-ethoxyphenyl)piperazin-1-yl]acetamide; oxalic acid Traditional Name: N-(3-cyano-2-thienyl)-2-(4-o-phenetylpiperazino)acetamide; oxalic acid Formula: C21H24N4O6S MolecularWeight: 460.50346

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CCN(CC2)CC(=O)NC3=C(C=CS3)C#N.C(=O)(C(=O)O)O

Isomeric SMILES

CCOC1=CC=CC=C1N2CCN(CC2)CC(=O)NC3=C(C=CS3)C#N.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H22N4O2S.C2H2O4/c1-2-25-17-6-4-3-5-16(17)23-10-8-22(9-11-23)14-18(24)21-19-15(13-20)7-12-26-19;3-1(4)2(5)6/h3-7,12H,2,8-11,14H2,1H3,(H,21,24);(H,3,4)(H,5,6)