CHEBI:120875 - 1-[[oxo(3-pyridinyl)methyl]amino]-3-(4-propan-2-ylphenyl)thiourea

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1-[[oxo(3-pyridinyl)methyl]amino]-3-(4-propan-2-ylphenyl)thiourea
ChEBI ID CHEBI:120875
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C16H18N4OS
Net Charge 0
Average Mass 314.407
Monoisotopic Mass 314.12013
InChI InChI=1S/C16H18N4OS/c1-11(2)12-5-7-14(8-6-12)18-16(22)20-19-15(21)13-4-3-9-17-10-13/h3-11H,1-2H3,(H,19,21)(H2,18,20,22)
InChIKey PLTDUXXHYQOSGF-UHFFFAOYSA-N
SMILES CC(C)C1=CC=C(C=C1)NC(=S)NNC(=O)C2=CN=CC=C2
ChEBI Ontology
Outgoing 1-[[oxo(3-pyridinyl)methyl]amino]-3-(4-propan-2-ylphenyl)thiourea (CHEBI:120875) has functional parent nicotinamide (CHEBI:17154)
1-[[oxo(3-pyridinyl)methyl]amino]-3-(4-propan-2-ylphenyl)thiourea (CHEBI:120875) is a pyridinecarboxamide (CHEBI:25529)
Manual Xref Database
LSM-32318 LINCS
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