(E)-but-2-enedioic acid; [4-(3-phenylbutyl)piperazin-1-yl]-(2-pyridin-3-yl-1,3-thiazolidin-4-yl)methanone

Systemtic Name: (E)-but-2-enedioic acid; [4-(3-phenylbutyl)piperazin-1-yl]-(2-pyridin-3-yl-1,3-thiazolidin-4-yl)methanone Openeye Name: fumaric acid; [4-(3-phenylbutyl)piperazin-1-yl]-[2-(3-pyridyl)thiazolidin-4-yl]methanone CAS Name: (E)-2-butenedioic acid; [4-(3-phenylbutyl)-1-piperazinyl]-[2-(3-pyridinyl)-4-thiazolidinyl]methanone IUPAC Name: (E)-but-2-enedioic acid; [4-(3-phenylbutyl)piperazin-1-yl]-(2-pyridin-3-yl-1,3-thiazolidin-4-yl)methanone Traditional Name: fumaric acid; [4-(3-phenylbutyl)piperazino]-[2-(3-pyridyl)thiazolidin-4-yl]methanone Formula: C27H34N4O5S MolecularWeight: 526.64766

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCN1CCN(CC1)C(=O)C2CSC(N2)C3=CN=CC=C3)C4=CC=CC=C4.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC(CCN1CCN(CC1)C(=O)C2CSC(N2)C3=CN=CC=C3)C4=CC=CC=C4.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C23H30N4OS.C4H4O4/c1-18(19-6-3-2-4-7-19)9-11-26-12-14-27(15-13-26)23(28)21-17-29-22(25-21)20-8-5-10-24-16-20;5-3(6)1-2-4(7)8/h2-8,10,16,18,21-22,25H,9,11-15,17H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+