CHEBI:92323 - N-[1-[2-(4-isothiocyanatophenyl)ethyl]-4-piperidinyl]-N-phenylpropanamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name N-[1-[2-(4-isothiocyanatophenyl)ethyl]-4-piperidinyl]-N-phenylpropanamide
ChEBI ID CHEBI:92323
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C23H27N3OS
Net Charge 0
Average Mass 393.547
Monoisotopic Mass 393.18748
InChI InChI=1S/C23H27N3OS/c1-2-23(27)26(21-6-4-3-5-7-21)22-13-16-25(17-14-22)15-12-19-8-10-20(11-9-19)24-18-28/h3-11,22H,2,12-17H2,1H3
InChIKey VDKBIFPJULZUPU-UHFFFAOYSA-N
SMILES CCC(=O)N(C1CCN(CC1)CCC2=CC=C(C=C2)N=C=S)C3=CC=CC=C3
ChEBI Ontology
Outgoing N-[1-[2-(4-isothiocyanatophenyl)ethyl]-4-piperidinyl]-N-phenylpropanamide (CHEBI:92323) is a piperidines (CHEBI:26151)
Manual Xref Database
LSM-2391 LINCS
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