(E)-but-2-enedioic acid; 6-[methyl-(phenylmethyl)amino]-N-pyridin-2-yl-3-thiophen-2-ylcarbonyl-hexanamide

Systemtic Name: (E)-but-2-enedioic acid; 6-[methyl-(phenylmethyl)amino]-N-pyridin-2-yl-3-thiophen-2-ylcarbonyl-hexanamide Openeye Name: 6-[benzyl(methyl)amino]-N-(2-pyridyl)-3-(thiophene-2-carbonyl)hexanamide; fumaric acid CAS Name: (E)-2-butenedioic acid; 6-[methyl-(phenylmethyl)amino]-3-[oxo(thiophen-2-yl)methyl]-N-(2-pyridinyl)hexanamide IUPAC Name: 6-[benzyl(methyl)amino]-N-pyridin-2-yl-3-(thiophene-2-carbonyl)hexanamide; (E)-but-2-enedioic acid Traditional Name: 6-[benzyl(methyl)amino]-N-(2-pyridyl)-3-(2-thenoyl)hexanamide; fumaric acid Formula: C28H31N3O6S MolecularWeight: 537.62724

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCC(CC(=O)NC1=CC=CC=N1)C(=O)C2=CC=CS2)CC3=CC=CC=C3.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN(CCCC(CC(=O)NC1=CC=CC=N1)C(=O)C2=CC=CS2)CC3=CC=CC=C3.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C24H27N3O2S.C4H4O4/c1-27(18-19-9-3-2-4-10-19)15-7-11-20(24(29)21-12-8-16-30-21)17-23(28)26-22-13-5-6-14-25-22;5-3(6)1-2-4(7)8/h2-6,8-10,12-14,16,20H,7,11,15,17-18H2,1H3,(H,25,26,28);1-2H,(H,5,6)(H,7,8)/b;2-1+