CHEBI:107243 - 4-[[[[2-(3-pyridinyl)-1-piperidinyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 4-[[[[2-(3-pyridinyl)-1-piperidinyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester
ChEBI ID CHEBI:107243
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C19H22N4O2S
Net Charge 0
Average Mass 370.470
Monoisotopic Mass 370.14635
InChI InChI=1S/C19H22N4O2S/c1-25-18(24)14-7-9-16(10-8-14)21-19(26)22-23-12-3-2-6-17(23)15-5-4-11-20-13-15/h4-5,7-11,13,17H,2-3,6,12H2,1H3,(H2,21,22,26)
InChIKey JYHJDKYRRNJQCO-UHFFFAOYSA-N
SMILES COC(=O)C1=CC=C(C=C1)NC(=S)NN2CCCCC2C3=CN=CC=C3
ChEBI Ontology
Outgoing 4-[[[[2-(3-pyridinyl)-1-piperidinyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester (CHEBI:107243) is a benzoate ester (CHEBI:36054)
Manual Xref Database
LSM-18597 LINCS
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