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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > oxygen molecular entity > organooxygen compound > carbonyl compound > 2-[[2-(cyclohexylamino)-2-oxoethyl]thio]benzoic acid [2-(cyclohexylamino)-2-oxoethyl] ester
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > organochalcogen compound > organooxygen compound > carbonyl compound > 2-[[2-(cyclohexylamino)-2-oxoethyl]thio]benzoic acid [2-(cyclohexylamino)-2-oxoethyl] ester
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > 2-[[2-(cyclohexylamino)-2-oxoethyl]thio]benzoic acid [2-(cyclohexylamino)-2-oxoethyl] ester

Preferred term

2-[[2-(cyclohexylamino)-2-oxoethyl]thio]benzoic acid [2-(cyclohexylamino)-2-oxoethyl] ester  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C23H32N2O4S

inchi

  • InChI=1S/C23H32N2O4S/c26-21(24-17-9-3-1-4-10-17)15-29-23(28)19-13-7-8-14-20(19)30-16-22(27)25-18-11-5-2-6-12-18/h7-8,13-14,17-18H,1-6,9-12,15-16H2,(H,24,26)(H,25,27)

inchikey

  • TYUJASFJJYCKKS-UHFFFAOYSA-N

mass

  • 432.578

monoisotopicmass

  • 432.20828

smiles

  • C1CCC(CC1)NC(=O)COC(=O)C2=CC=CC=C2SCC(=O)NC3CCCCC3

subset

  • 2_STAR

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:121469

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