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CHEBI:109394 - 1-[[2-(2,4-dichlorophenoxy)-1-oxoethyl]amino]-3-(4-methoxyphenyl)thiourea

ChEBI IDCHEBI:109394
ChEBI Name1-[[2-(2,4-dichlorophenoxy)-1-oxoethyl]amino]-3-(4-methoxyphenyl)thiourea
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DownloadsMolfile
FormulaC16H15Cl2N3O3S
Net Charge0
Average Mass400.287
Monoisotopic Mass399.02112
SMILESCOc1ccc(NC(=S)NNC(=O)COc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C16H15Cl2N3O3S/c1-23-12-5-3-11(4-6-12)19-16(25)21-20-15(22)9-24-14-7-2-10(17)8-13(14)18/h2-8H,9H2,1H3,(H,20,22)(H2,19,21,25)
InChIKeyLNPBULPTWCKZSR-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
1-[[2-(2,4-dichlorophenoxy)-1-oxoethyl]amino]-3-(4-methoxyphenyl)thiourea (CHEBI:109394) is a methoxybenzenes (CHEBI:51683)
1-[[2-(2,4-dichlorophenoxy)-1-oxoethyl]amino]-3-(4-methoxyphenyl)thiourea (CHEBI:109394) is a substituted aniline (CHEBI:48975)
Manual XrefsDatabases
LSM-20792LINCS