N-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxidanylidene-2-(pyridin-3-ylmethylamino)ethyl]sulfanyl-propanamide

Systemtic Name: N-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxidanylidene-2-(pyridin-3-ylmethylamino)ethyl]sulfanyl-propanamide Openeye Name: N-(5-methylisoxazol-3-yl)-2-[2-oxo-2-(3-pyridylmethylamino)ethyl]sulfanyl-propanamide CAS Name: N-(5-methyl-3-isoxazolyl)-2-[[2-oxo-2-(3-pyridinylmethylamino)ethyl]thio]propanamide IUPAC Name: N-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]sulfanylpropanamide Traditional Name: 2-[[2-keto-2-(3-pyridylmethylamino)ethyl]thio]-N-(5-methylisoxazol-3-yl)propionamide Formula: C15H18N4O3S MolecularWeight: 334.39342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)C(C)SCC(=O)NCC2=CN=CC=C2

Isomeric SMILES

CC1=CC(=NO1)NC(=O)C(C)SCC(=O)NCC2=CN=CC=C2

InChI

InChI=1S/C15H18N4O3S/c1-10-6-13(19-22-10)18-15(21)11(2)23-9-14(20)17-8-12-4-3-5-16-7-12/h3-7,11H,8-9H2,1-2H3,(H,17,20)(H,18,19,21)