CHEBI:105104 - 1-(2-methylprop-2-enyl)-3-[(5-nitro-2-oxo-3-indolyl)amino]thiourea

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ChEBI Name 1-(2-methylprop-2-enyl)-3-[(5-nitro-2-oxo-3-indolyl)amino]thiourea
ChEBI ID CHEBI:105104
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C13H13N5O3S
Net Charge 0
Average Mass 319.341
Monoisotopic Mass 319.07391
InChI InChI=1S/C13H13N5O3S/c1-7(2)6-14-13(22)17-16-11-9-5-8(18(20)21)3-4-10(9)15-12(11)19/h3-5H,1,6H2,2H3,(H2,14,17,22)(H,15,16,19)
InChIKey AIEUHTRAMXFLTG-UHFFFAOYSA-N
SMILES CC(=C)CNC(=S)NNC1=C2C=C(C=CC2=NC1=O)[N+](=O)[O-]
ChEBI Ontology
Outgoing 1-(2-methylprop-2-enyl)-3-[(5-nitro-2-oxo-3-indolyl)amino]thiourea (CHEBI:105104) has functional parent α-amino acid (CHEBI:33704)
1-(2-methylprop-2-enyl)-3-[(5-nitro-2-oxo-3-indolyl)amino]thiourea (CHEBI:105104) is a organonitrogen compound (CHEBI:35352)
1-(2-methylprop-2-enyl)-3-[(5-nitro-2-oxo-3-indolyl)amino]thiourea (CHEBI:105104) is a organooxygen compound (CHEBI:36963)
Manual Xref Database
LSM-16467 LINCS
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