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

Systemtic Name: 2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide Openeye Name: 2-[2-(azepan-1-yl)-2-oxo-ethyl]sulfanyl-N-(5-methylisoxazol-3-yl)propanamide CAS Name: 2-[[2-(1-azepanyl)-2-oxoethyl]thio]-N-(5-methyl-3-isoxazolyl)propanamide IUPAC Name: 2-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide Traditional Name: 2-[[2-(azepan-1-yl)-2-keto-ethyl]thio]-N-(5-methylisoxazol-3-yl)propionamide Formula: C15H23N3O3S MolecularWeight: 325.42642

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)C(C)SCC(=O)N2CCCCCC2

Isomeric SMILES

CC1=CC(=NO1)NC(=O)C(C)SCC(=O)N2CCCCCC2

InChI

InChI=1S/C15H23N3O3S/c1-11-9-13(17-21-11)16-15(20)12(2)22-10-14(19)18-7-5-3-4-6-8-18/h9,12H,3-8,10H2,1-2H3,(H,16,17,20)