N-(3,5-dimethylphenyl)-2-[(2-morpholin-4-ylethanoylamino)-pyridin-4-yl-methyl]sulfanyl-pyridine-3-carboxamide

Systemtic Name: N-(3,5-dimethylphenyl)-2-[(2-morpholin-4-ylethanoylamino)-pyridin-4-yl-methyl]sulfanyl-pyridine-3-carboxamide Openeye Name: N-(3,5-dimethylphenyl)-2-[[(2-morpholinoacetyl)amino]-(4-pyridyl)methyl]sulfanyl-pyridine-3-carboxamide CAS Name: N-(3,5-dimethylphenyl)-2-[[[[2-(4-morpholinyl)-1-oxoethyl]amino]-pyridin-4-ylmethyl]thio]-3-pyridinecarboxamide IUPAC Name: N-(3,5-dimethylphenyl)-2-[[(2-morpholin-4-ylacetyl)amino]-pyridin-4-ylmethyl]sulfanylpyridine-3-carboxamide Traditional Name: N-(3,5-dimethylphenyl)-2-[[[(2-morpholinoacetyl)amino]-(4-pyridyl)methyl]thio]nicotinamide Formula: C26H29N5O3S MolecularWeight: 491.60516

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)C2=C(N=CC=C2)SC(C3=CC=NC=C3)NC(=O)CN4CCOCC4)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)C2=C(N=CC=C2)SC(C3=CC=NC=C3)NC(=O)CN4CCOCC4)C

InChI

InChI=1S/C26H29N5O3S/c1-18-14-19(2)16-21(15-18)29-24(33)22-4-3-7-28-26(22)35-25(20-5-8-27-9-6-20)30-23(32)17-31-10-12-34-13-11-31/h3-9,14-16,25H,10-13,17H2,1-2H3,(H,29,33)(H,30,32)