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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > sulfur molecular entity > organosulfur compound > thiocarbonyl compound > thioureas > 2-[[sulfanylidene-[[2,2,2-trichloro-1-[(1-oxo-2-phenoxyethyl)amino]ethyl]amino]methyl]amino]benzoic acid
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > organochalcogen compound > organosulfur compound > thiocarbonyl compound > thioureas > 2-[[sulfanylidene-[[2,2,2-trichloro-1-[(1-oxo-2-phenoxyethyl)amino]ethyl]amino]methyl]amino]benzoic acid

Preferred term

2-[[sulfanylidene-[[2,2,2-trichloro-1-[(1-oxo-2-phenoxyethyl)amino]ethyl]amino]methyl]amino]benzoic acid  

Type

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

Broader concept

charge

  • 0

formula

  • C18H16Cl3N3O4S

inchi

  • InChI=1S/C18H16Cl3N3O4S/c19-18(20,21)16(23-14(25)10-28-11-6-2-1-3-7-11)24-17(29)22-13-9-5-4-8-12(13)15(26)27/h1-9,16H,10H2,(H,23,25)(H,26,27)(H2,22,24,29)

inchikey

  • BNVBSMSTBHBPOG-UHFFFAOYSA-N

mass

  • 476.763

monoisotopicmass

  • 474.99271

smiles

  • C1=CC=C(C=C1)OCC(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC2=CC=CC=C2C(=O)O

subset

  • 2_STAR

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:121184

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