CHEBI:112192 - 4-[[1-(6-ethoxy-1,3-benzothiazol-2-yl)-3-piperidinyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 4-[[1-(6-ethoxy-1,3-benzothiazol-2-yl)-3-piperidinyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester
ChEBI ID CHEBI:112192
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C22H30N4O4S
Net Charge 0
Average Mass 446.565
Monoisotopic Mass 446.19878
InChI InChI=1S/C22H30N4O4S/c1-3-29-17-7-8-18-19(14-17)31-21(23-18)26-9-5-6-16(15-26)20(27)24-10-12-25(13-11-24)22(28)30-4-2/h7-8,14,16H,3-6,9-13,15H2,1-2H3
InChIKey YWECOAAGZKQGCT-UHFFFAOYSA-N
SMILES CCOC1=CC2=C(C=C1)N=C(S2)N3CCCC(C3)C(=O)N4CCN(CC4)C(=O)OCC
ChEBI Ontology
Outgoing 4-[[1-(6-ethoxy-1,3-benzothiazol-2-yl)-3-piperidinyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester (CHEBI:112192) is a benzothiazoles (CHEBI:37947)
Manual Xref Database
LSM-23604 LINCS
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