N-[4-(decanoylamino)cyclohexyl]-2-[(2-fluoranylphenoxy)methyl]-1,3-thiazole-4-carboxamide

Systemtic Name: N-[4-(decanoylamino)cyclohexyl]-2-[(2-fluoranylphenoxy)methyl]-1,3-thiazole-4-carboxamide Openeye Name: N-[4-(decanoylamino)cyclohexyl]-2-[(2-fluorophenoxy)methyl]thiazole-4-carboxamide CAS Name: 2-[(2-fluorophenoxy)methyl]-N-[4-(1-oxodecylamino)cyclohexyl]-4-thiazolecarboxamide IUPAC Name: N-[4-(decanoylamino)cyclohexyl]-2-[(2-fluorophenoxy)methyl]-1,3-thiazole-4-carboxamide Traditional Name: N-[4-(caprylamino)cyclohexyl]-2-[(2-fluorophenoxy)methyl]thiazole-4-carboxamide Formula: C27H38FN3O3S MolecularWeight: 503.672323

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(=O)NC1CCC(CC1)NC(=O)C2=CSC(=N2)COC3=CC=CC=C3F

Isomeric SMILES

CCCCCCCCCC(=O)NC1CCC(CC1)NC(=O)C2=CSC(=N2)COC3=CC=CC=C3F

InChI

InChI=1S/C27H38FN3O3S/c1-2-3-4-5-6-7-8-13-25(32)29-20-14-16-21(17-15-20)30-27(33)23-19-35-26(31-23)18-34-24-12-10-9-11-22(24)28/h9-12,19-21H,2-8,13-18H2,1H3,(H,29,32)(H,30,33)