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

Systemtic Name: N-(3,5-dimethylphenyl)-2-[[2-(2-morpholin-4-ylethanoylamino)pyridin-4-yl]methylsulfanyl]pyridine-3-carboxamide Openeye Name: N-(3,5-dimethylphenyl)-2-[[2-[(2-morpholinoacetyl)amino]-4-pyridyl]methylsulfanyl]pyridine-3-carboxamide CAS Name: N-(3,5-dimethylphenyl)-2-[[2-[[2-(4-morpholinyl)-1-oxoethyl]amino]-4-pyridinyl]methylthio]-3-pyridinecarboxamide IUPAC Name: N-(3,5-dimethylphenyl)-2-[[2-[(2-morpholin-4-ylacetyl)amino]pyridin-4-yl]methylsulfanyl]pyridine-3-carboxamide Traditional Name: N-(3,5-dimethylphenyl)-2-[[2-[(2-morpholinoacetyl)amino]-4-pyridyl]methylthio]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)SCC3=CC(=NC=C3)NC(=O)CN4CCOCC4)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)C2=C(N=CC=C2)SCC3=CC(=NC=C3)NC(=O)CN4CCOCC4)C

InChI

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