CHEBI:109413 - 5-cyano-6-[[2-(2,3-dimethylanilino)-2-oxoethyl]thio]-4-(2-furanyl)-2-methyl-N-phenyl-1,4-dihydropyridine-3-carboxamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 5-cyano-6-[[2-(2,3-dimethylanilino)-2-oxoethyl]thio]-4-(2-furanyl)-2-methyl-N-phenyl-1,4-dihydropyridine-3-carboxamide
ChEBI ID CHEBI:109413
Stars This entity has been manually annotated by a third party.
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Formula C28H26N4O3S
Net Charge 0
Average Mass 498.598
Monoisotopic Mass 498.17256
InChI InChI=1S/C28H26N4O3S/c1-17-9-7-12-22(18(17)2)32-24(33)16-36-28-21(15-29)26(23-13-8-14-35-23)25(19(3)30-28)27(34)31-20-10-5-4-6-11-20/h4-14,26,30H,16H2,1-3H3,(H,31,34)(H,32,33)
InChIKey RJTGZCXDBPSENF-UHFFFAOYSA-N
SMILES CC1=C(C(=CC=C1)NC(=O)CSC2=C(C(C(=C(N2)C)C(=O)NC3=CC=CC=C3)C4=CC=CO4)C#N)C
ChEBI Ontology
Outgoing 5-cyano-6-[[2-(2,3-dimethylanilino)-2-oxoethyl]thio]-4-(2-furanyl)-2-methyl-N-phenyl-1,4-dihydropyridine-3-carboxamide (CHEBI:109413) is a anilide (CHEBI:13248)
Manual Xref Database
LSM-20811 LINCS
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