CHEBI:105495 - 5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-[[1-naphthalenyl(oxo)methyl]amino]-3-thiophenecarboxamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-[[1-naphthalenyl(oxo)methyl]amino]-3-thiophenecarboxamide
ChEBI ID CHEBI:105495
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C25H20N2O4S
Net Charge 0
Average Mass 444.504
Monoisotopic Mass 444.11438
InChI InChI=1S/C25H20N2O4S/c1-14-21(12-15-9-10-19-20(11-15)31-13-30-19)32-25(22(14)23(26)28)27-24(29)18-8-4-6-16-5-2-3-7-17(16)18/h2-11H,12-13H2,1H3,(H2,26,28)(H,27,29)
InChIKey CJJWJXLYSJKGPX-UHFFFAOYSA-N
SMILES CC1=C(SC(=C1C(=O)N)NC(=O)C2=CC=CC3=CC=CC=C32)CC4=CC5=C(C=C4)OCO5
ChEBI Ontology
Outgoing 5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-[[1-naphthalenyl(oxo)methyl]amino]-3-thiophenecarboxamide (CHEBI:105495) is a naphthalenecarboxamide (CHEBI:48739)
Manual Xref Database
LSM-16858 LINCS
View more database links