CHEBI:122087 - N-[[3-chloro-4-(1-piperidinyl)anilino]-sulfanylidenemethyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide

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ChEBI Name N-[[3-chloro-4-(1-piperidinyl)anilino]-sulfanylidenemethyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide
ChEBI ID CHEBI:122087
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C21H22ClN3O3S
Net Charge 0
Average Mass 431.937
Monoisotopic Mass 431.10704
InChI InChI=1S/C21H22ClN3O3S/c22-16-13-15(5-6-17(16)25-8-2-1-3-9-25)23-21(29)24-20(26)14-4-7-18-19(12-14)28-11-10-27-18/h4-7,12-13H,1-3,8-11H2,(H2,23,24,26,29)
InChIKey UIENYKHISAKOLS-UHFFFAOYSA-N
SMILES C1CCN(CC1)C2=C(C=C(C=C2)NC(=S)NC(=O)C3=CC4=C(C=C3)OCCO4)Cl
ChEBI Ontology
Outgoing N-[[3-chloro-4-(1-piperidinyl)anilino]-sulfanylidenemethyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide (CHEBI:122087) is a thioureas (CHEBI:51276)
Manual Xref Database
LSM-33530 LINCS
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