ethanedioic acid; 2-[2-(4-ethylpiperazin-1-yl)ethanoylamino]-5-phenyl-thiophene-3-carboxamide

Systemtic Name: ethanedioic acid; 2-[2-(4-ethylpiperazin-1-yl)ethanoylamino]-5-phenyl-thiophene-3-carboxamide Openeye Name: 2-[[2-(4-ethylpiperazin-1-yl)acetyl]amino]-5-phenyl-thiophene-3-carboxamide; oxalic acid CAS Name: 2-[[2-(4-ethyl-1-piperazinyl)-1-oxoethyl]amino]-5-phenyl-3-thiophenecarboxamide; oxalic acid IUPAC Name: 2-[[2-(4-ethylpiperazin-1-yl)acetyl]amino]-5-phenylthiophene-3-carboxamide; oxalic acid Traditional Name: 2-[[2-(4-ethylpiperazino)acetyl]amino]-5-phenyl-thiophene-3-carboxamide; oxalic acid Formula: C23H28N4O10S MolecularWeight: 552.55422

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)CC(=O)NC2=C(C=C(S2)C3=CC=CC=C3)C(=O)N.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

Isomeric SMILES

CCN1CCN(CC1)CC(=O)NC2=C(C=C(S2)C3=CC=CC=C3)C(=O)N.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H24N4O2S.2C2H2O4/c1-2-22-8-10-23(11-9-22)13-17(24)21-19-15(18(20)25)12-16(26-19)14-6-4-3-5-7-14;2*3-1(4)2(5)6/h3-7,12H,2,8-11,13H2,1H3,(H2,20,25)(H,21,24);2*(H,3,4)(H,5,6)