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

Systemtic Name: N-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxidanylidene-2-(3-phenylprop-2-ynylamino)ethyl]sulfanyl-propanamide Openeye Name: N-(5-methylisoxazol-3-yl)-2-[2-oxo-2-(3-phenylprop-2-ynylamino)ethyl]sulfanyl-propanamide CAS Name: N-(5-methyl-3-isoxazolyl)-2-[[2-oxo-2-(3-phenylprop-2-ynylamino)ethyl]thio]propanamide IUPAC Name: N-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxo-2-(3-phenylprop-2-ynylamino)ethyl]sulfanylpropanamide Traditional Name: 2-[[2-keto-2-(3-phenylprop-2-ynylamino)ethyl]thio]-N-(5-methylisoxazol-3-yl)propionamide Formula: C18H19N3O3S MolecularWeight: 357.42676

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)C(C)SCC(=O)NCC#CC2=CC=CC=C2

Isomeric SMILES

CC1=CC(=NO1)NC(=O)C(C)SCC(=O)NCC#CC2=CC=CC=C2

InChI

InChI=1S/C18H19N3O3S/c1-13-11-16(21-24-13)20-18(23)14(2)25-12-17(22)19-10-6-9-15-7-4-3-5-8-15/h3-5,7-8,11,14H,10,12H2,1-2H3,(H,19,22)(H,20,21,23)