2-[2-[2-(4-hexoxyphenyl)carbonylhydrazinyl]-2-oxidanylidene-ethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)ethanamide

Systemtic Name: 2-[2-[2-(4-hexoxyphenyl)carbonylhydrazinyl]-2-oxidanylidene-ethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)ethanamide Openeye Name: 2-[2-[2-(4-hexoxybenzoyl)hydrazino]-2-oxo-ethyl]sulfanyl-N-(5-methylisoxazol-3-yl)acetamide CAS Name: 2-[[2-[[(4-hexoxyphenyl)-oxomethyl]hydrazo]-2-oxoethyl]thio]-N-(5-methyl-3-isoxazolyl)acetamide IUPAC Name: 2-[2-[2-(4-hexoxybenzoyl)hydrazinyl]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide Traditional Name: 2-[[2-[N'-(4-hexoxybenzoyl)hydrazino]-2-keto-ethyl]thio]-N-(5-methylisoxazol-3-yl)acetamide Formula: C21H28N4O5S MolecularWeight: 448.53582

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C(=O)NNC(=O)CSCC(=O)NC2=NOC(=C2)C

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C(=O)NNC(=O)CSCC(=O)NC2=NOC(=C2)C

InChI

InChI=1S/C21H28N4O5S/c1-3-4-5-6-11-29-17-9-7-16(8-10-17)21(28)24-23-20(27)14-31-13-19(26)22-18-12-15(2)30-25-18/h7-10,12H,3-6,11,13-14H2,1-2H3,(H,23,27)(H,24,28)(H,22,25,26)