N-(4-tert-butylphenyl)-2-[(2-morpholin-4-ylethanoylamino)-pyridin-4-yl-methyl]sulfanyl-pyridine-3-carboxamide

Systemtic Name: N-(4-tert-butylphenyl)-2-[(2-morpholin-4-ylethanoylamino)-pyridin-4-yl-methyl]sulfanyl-pyridine-3-carboxamide Openeye Name: N-(4-tert-butylphenyl)-2-[[(2-morpholinoacetyl)amino]-(4-pyridyl)methyl]sulfanyl-pyridine-3-carboxamide CAS Name: N-(4-tert-butylphenyl)-2-[[[[2-(4-morpholinyl)-1-oxoethyl]amino]-pyridin-4-ylmethyl]thio]-3-pyridinecarboxamide IUPAC Name: N-(4-tert-butylphenyl)-2-[[(2-morpholin-4-ylacetyl)amino]-pyridin-4-ylmethyl]sulfanylpyridine-3-carboxamide Traditional Name: N-(4-tert-butylphenyl)-2-[[[(2-morpholinoacetyl)amino]-(4-pyridyl)methyl]thio]nicotinamide Formula: C28H33N5O3S MolecularWeight: 519.65832

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)NC(=O)C2=C(N=CC=C2)SC(C3=CC=NC=C3)NC(=O)CN4CCOCC4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)NC(=O)C2=C(N=CC=C2)SC(C3=CC=NC=C3)NC(=O)CN4CCOCC4

InChI

InChI=1S/C28H33N5O3S/c1-28(2,3)21-6-8-22(9-7-21)31-25(35)23-5-4-12-30-27(23)37-26(20-10-13-29-14-11-20)32-24(34)19-33-15-17-36-18-16-33/h4-14,26H,15-19H2,1-3H3,(H,31,35)(H,32,34)