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

Systemtic Name: N-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxidanylidene-2-[3-(1-phenylethoxy)propylamino]ethyl]sulfanyl-propanamide Openeye Name: N-(5-methylisoxazol-3-yl)-2-[2-oxo-2-[3-(1-phenylethoxy)propylamino]ethyl]sulfanyl-propanamide CAS Name: N-(5-methyl-3-isoxazolyl)-2-[[2-oxo-2-[3-(1-phenylethoxy)propylamino]ethyl]thio]propanamide IUPAC Name: N-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxo-2-[3-(1-phenylethoxy)propylamino]ethyl]sulfanylpropanamide Traditional Name: 2-[[2-keto-2-[3-(1-phenylethoxy)propylamino]ethyl]thio]-N-(5-methylisoxazol-3-yl)propionamide Formula: C20H27N3O4S MolecularWeight: 405.51108

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)C(C)SCC(=O)NCCCOC(C)C2=CC=CC=C2

Isomeric SMILES

CC1=CC(=NO1)NC(=O)C(C)SCC(=O)NCCCOC(C)C2=CC=CC=C2

InChI

InChI=1S/C20H27N3O4S/c1-14-12-18(23-27-14)22-20(25)16(3)28-13-19(24)21-10-7-11-26-15(2)17-8-5-4-6-9-17/h4-6,8-9,12,15-16H,7,10-11,13H2,1-3H3,(H,21,24)(H,22,23,25)