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

Systemtic Name: 2-[2-[2-(4-hexoxyphenyl)carbonylhydrazinyl]-2-oxidanylidene-ethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide Openeye Name: 2-[2-[2-(4-hexoxybenzoyl)hydrazino]-2-oxo-ethyl]sulfanyl-N-(5-methylisoxazol-3-yl)propanamide CAS Name: 2-[[2-[[(4-hexoxyphenyl)-oxomethyl]hydrazo]-2-oxoethyl]thio]-N-(5-methyl-3-isoxazolyl)propanamide IUPAC Name: 2-[2-[2-(4-hexoxybenzoyl)hydrazinyl]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide Traditional Name: 2-[[2-[N'-(4-hexoxybenzoyl)hydrazino]-2-keto-ethyl]thio]-N-(5-methylisoxazol-3-yl)propionamide Formula: C22H30N4O5S MolecularWeight: 462.5624

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N4O5S/c1-4-5-6-7-12-30-18-10-8-17(9-11-18)22(29)25-24-20(27)14-32-16(3)21(28)23-19-13-15(2)31-26-19/h8-11,13,16H,4-7,12,14H2,1-3H3,(H,24,27)(H,25,29)(H,23,26,28)