2-[(2-fluoranylphenoxy)methyl]-N-[2-(3-methylbutanoylamino)ethyl]-1,3-thiazole-4-carboxamide

Systemtic Name: 2-[(2-fluoranylphenoxy)methyl]-N-[2-(3-methylbutanoylamino)ethyl]-1,3-thiazole-4-carboxamide Openeye Name: 2-[(2-fluorophenoxy)methyl]-N-[2-(3-methylbutanoylamino)ethyl]thiazole-4-carboxamide CAS Name: 2-[(2-fluorophenoxy)methyl]-N-[2-[(3-methyl-1-oxobutyl)amino]ethyl]-4-thiazolecarboxamide IUPAC Name: 2-[(2-fluorophenoxy)methyl]-N-[2-(3-methylbutanoylamino)ethyl]-1,3-thiazole-4-carboxamide Traditional Name: 2-[(2-fluorophenoxy)methyl]-N-[2-(isovalerylamino)ethyl]thiazole-4-carboxamide Formula: C18H22FN3O3S MolecularWeight: 379.448983

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NCCNC(=O)C1=CSC(=N1)COC2=CC=CC=C2F

Isomeric SMILES

CC(C)CC(=O)NCCNC(=O)C1=CSC(=N1)COC2=CC=CC=C2F

InChI

InChI=1S/C18H22FN3O3S/c1-12(2)9-16(23)20-7-8-21-18(24)14-11-26-17(22-14)10-25-15-6-4-3-5-13(15)19/h3-6,11-12H,7-10H2,1-2H3,(H,20,23)(H,21,24)