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CHEBI:121213 - 1-(3-methoxyphenyl)-3-[[3-(4-nitro-1-pyrazolyl)-1-oxopropyl]amino]thiourea

ChEBI IDCHEBI:121213
ChEBI Name1-(3-methoxyphenyl)-3-[[3-(4-nitro-1-pyrazolyl)-1-oxopropyl]amino]thiourea
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FormulaC14H16N6O4S
Net Charge0
Average Mass364.387
Monoisotopic Mass364.09537
SMILESCOc1cccc(NC(=S)NNC(=O)CCn2cc([N+](=O)[O-])cn2)c1
InChIInChI=1S/C14H16N6O4S/c1-24-12-4-2-3-10(7-12)16-14(25)18-17-13(21)5-6-19-9-11(8-15-19)20(22)23/h2-4,7-9H,5-6H2,1H3,(H,17,21)(H2,16,18,25)
InChIKeyPGKLNIRBCLXTFX-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-(3-methoxyphenyl)-3-[[3-(4-nitro-1-pyrazolyl)-1-oxopropyl]amino]thiourea (CHEBI:121213) is a methoxybenzenes (CHEBI:51683)
1-(3-methoxyphenyl)-3-[[3-(4-nitro-1-pyrazolyl)-1-oxopropyl]amino]thiourea (CHEBI:121213) is a substituted aniline (CHEBI:48975)
Manual XrefsDatabases
LSM-32656LINCS