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CHEBI:121598 - 1-(3-chloro-4-propan-2-ylsulfonyl-2-thiophenyl)-3-(3-nitrophenyl)urea

ChEBI IDCHEBI:121598
ChEBI Name1-(3-chloro-4-propan-2-ylsulfonyl-2-thiophenyl)-3-(3-nitrophenyl)urea
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DownloadsMolfile
FormulaC14H14ClN3O5S2
Net Charge0
Average Mass403.869
Monoisotopic Mass403.00634
SMILESCC(C)S(=O)(=O)c1csc(NC(=O)Nc2cccc([N+](=O)[O-])c2)c1Cl
InChIInChI=1S/C14H14ClN3O5S2/c1-8(2)25(22,23)11-7-24-13(12(11)15)17-14(19)16-9-4-3-5-10(6-9)18(20)21/h3-8H,1-2H3,(H2,16,17,19)
InChIKeyGADNKVJBROSOAU-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
1-(3-chloro-4-propan-2-ylsulfonyl-2-thiophenyl)-3-(3-nitrophenyl)urea (CHEBI:121598) is a ureas (CHEBI:47857)
Manual XrefsDatabases
LSM-33041LINCS