(E)-but-2-enedioic acid; 2-(dimethylamino)-N-(morpholin-4-ylmethyl)-2-pyridin-2-yl-ethanethioamide

Systemtic Name: (E)-but-2-enedioic acid; 2-(dimethylamino)-N-(morpholin-4-ylmethyl)-2-pyridin-2-yl-ethanethioamide Openeye Name: 2-(dimethylamino)-N-(morpholinomethyl)-2-(2-pyridyl)thioacetamide; fumaric acid CAS Name: (E)-2-butenedioic acid; 2-(dimethylamino)-N-(4-morpholinylmethyl)-2-(2-pyridinyl)ethanethioamide IUPAC Name: (E)-but-2-enedioic acid; 2-(dimethylamino)-N-(morpholin-4-ylmethyl)-2-pyridin-2-ylethanethioamide Traditional Name: 2-(dimethylamino)-N-(morpholinomethyl)-2-(2-pyridyl)thioacetamide; fumaric acid Formula: C18H26N4O5S MolecularWeight: 410.48784

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(C1=CC=CC=N1)C(=S)NCN2CCOCC2.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN(C)C(C1=CC=CC=N1)C(=S)NCN2CCOCC2.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C14H22N4OS.C4H4O4/c1-17(2)13(12-5-3-4-6-15-12)14(20)16-11-18-7-9-19-10-8-18;5-3(6)1-2-4(7)8/h3-6,13H,7-11H2,1-2H3,(H,16,20);1-2H,(H,5,6)(H,7,8)/b;2-1+