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

Systemtic Name: N-(5-methyl-1,2-oxazol-3-yl)-2-[2-(nonylamino)-2-oxidanylidene-ethyl]sulfanyl-propanamide Openeye Name: N-(5-methylisoxazol-3-yl)-2-[2-(nonylamino)-2-oxo-ethyl]sulfanyl-propanamide CAS Name: N-(5-methyl-3-isoxazolyl)-2-[[2-(nonylamino)-2-oxoethyl]thio]propanamide IUPAC Name: N-(5-methyl-1,2-oxazol-3-yl)-2-[2-(nonylamino)-2-oxoethyl]sulfanylpropanamide Traditional Name: 2-[[2-keto-2-(nonylamino)ethyl]thio]-N-(5-methylisoxazol-3-yl)propionamide Formula: C18H31N3O3S MolecularWeight: 369.52204

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCNC(=O)CSC(C)C(=O)NC1=NOC(=C1)C

Isomeric SMILES

CCCCCCCCCNC(=O)CSC(C)C(=O)NC1=NOC(=C1)C

InChI

InChI=1S/C18H31N3O3S/c1-4-5-6-7-8-9-10-11-19-17(22)13-25-15(3)18(23)20-16-12-14(2)24-21-16/h12,15H,4-11,13H2,1-3H3,(H,19,22)(H,20,21,23)