ethanedioic acid; 2-[2-(4-methylpiperazin-1-yl)ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: ethanedioic acid; 2-[2-(4-methylpiperazin-1-yl)ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[[2-(4-methylpiperazin-1-yl)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide; oxalic acid CAS Name: 2-[[2-(4-methyl-1-piperazinyl)-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide; oxalic acid IUPAC Name: 2-[[2-(4-methylpiperazin-1-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide; oxalic acid Traditional Name: 2-[[2-(4-methylpiperazino)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide; oxalic acid Formula: C20H28N4O10S MolecularWeight: 516.52212

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)N.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

Isomeric SMILES

CN1CCN(CC1)CC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)N.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C16H24N4O2S.2C2H2O4/c1-19-6-8-20(9-7-19)10-13(21)18-16-14(15(17)22)11-4-2-3-5-12(11)23-16;2*3-1(4)2(5)6/h2-10H2,1H3,(H2,17,22)(H,18,21);2*(H,3,4)(H,5,6)