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CHEBI:107347 - N-(3-carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(2-chlorophenyl)-5-methyl-4-isoxazolecarboxamide

ChEBI IDCHEBI:107347
ChEBI NameN-(3-carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(2-chlorophenyl)-5-methyl-4-isoxazolecarboxamide
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FormulaC21H20ClN3O3S
Net Charge0
Average Mass429.929
Monoisotopic Mass429.09139
SMILESCc1onc(-c2ccccc2Cl)c1C(=O)Nc1sc2c(c1C(N)=O)CCC(C)C2
InChIInChI=1S/C21H20ClN3O3S/c1-10-7-8-13-15(9-10)29-21(17(13)19(23)26)24-20(27)16-11(2)28-25-18(16)12-5-3-4-6-14(12)22/h3-6,10H,7-9H2,1-2H3,(H2,23,26)(H,24,27)
InChIKeyPSHNNPOXZYOMBJ-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
N-(3-carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(2-chlorophenyl)-5-methyl-4-isoxazolecarboxamide (CHEBI:107347) is a aromatic amide (CHEBI:62733)
N-(3-carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(2-chlorophenyl)-5-methyl-4-isoxazolecarboxamide (CHEBI:107347) is a thiophenes (CHEBI:26961)
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