ethanedioic acid; N-(4-morpholin-4-ylphenyl)-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propanamide

Systemtic Name: ethanedioic acid; N-(4-morpholin-4-ylphenyl)-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propanamide Openeye Name: N-(4-morpholinophenyl)-2-[4-(2-thienylmethyl)piperazin-1-yl]propanamide; oxalic acid CAS Name: N-[4-(4-morpholinyl)phenyl]-2-[4-(thiophen-2-ylmethyl)-1-piperazinyl]propanamide; oxalic acid IUPAC Name: N-(4-morpholin-4-ylphenyl)-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propanamide; oxalic acid Traditional Name: N-(4-morpholinophenyl)-2-[4-(2-thenyl)piperazino]propionamide; oxalic acid Formula: C28H36N4O14S MolecularWeight: 684.66884

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)N2CCOCC2)N3CCN(CC3)CC4=CC=CS4.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)N2CCOCC2)N3CCN(CC3)CC4=CC=CS4.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C22H30N4O2S.3C2H2O4/c1-18(25-10-8-24(9-11-25)17-21-3-2-16-29-21)22(27)23-19-4-6-20(7-5-19)26-12-14-28-15-13-26;3*3-1(4)2(5)6/h2-7,16,18H,8-15,17H2,1H3,(H,23,27);3*(H,3,4)(H,5,6)