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

Systemtic Name: 2-(2,5-dimethylphenyl)sulfanyl-N-[4-(2-morpholin-4-ylethanoylamino)phenyl]pyridine-3-carboxamide Openeye Name: 2-(2,5-dimethylphenyl)sulfanyl-N-[4-[(2-morpholinoacetyl)amino]phenyl]pyridine-3-carboxamide CAS Name: 2-[(2,5-dimethylphenyl)thio]-N-[4-[[2-(4-morpholinyl)-1-oxoethyl]amino]phenyl]-3-pyridinecarboxamide IUPAC Name: 2-(2,5-dimethylphenyl)sulfanyl-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]pyridine-3-carboxamide Traditional Name: 2-[(2,5-dimethylphenyl)thio]-N-[4-[(2-morpholinoacetyl)amino]phenyl]nicotinamide Formula: C26H28N4O3S MolecularWeight: 476.59052

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)SC2=C(C=CC=N2)C(=O)NC3=CC=C(C=C3)NC(=O)CN4CCOCC4

Isomeric SMILES

CC1=CC(=C(C=C1)C)SC2=C(C=CC=N2)C(=O)NC3=CC=C(C=C3)NC(=O)CN4CCOCC4

InChI

InChI=1S/C26H28N4O3S/c1-18-5-6-19(2)23(16-18)34-26-22(4-3-11-27-26)25(32)29-21-9-7-20(8-10-21)28-24(31)17-30-12-14-33-15-13-30/h3-11,16H,12-15,17H2,1-2H3,(H,28,31)(H,29,32)