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

Systemtic Name: 2-[(4-fluoranylphenoxy)methyl]-N-[4-(3-methylbutanoylamino)phenyl]-1,3-thiazole-4-carboxamide Openeye Name: 2-[(4-fluorophenoxy)methyl]-N-[4-(3-methylbutanoylamino)phenyl]thiazole-4-carboxamide CAS Name: 2-[(4-fluorophenoxy)methyl]-N-[4-[(3-methyl-1-oxobutyl)amino]phenyl]-4-thiazolecarboxamide IUPAC Name: 2-[(4-fluorophenoxy)methyl]-N-[4-(3-methylbutanoylamino)phenyl]-1,3-thiazole-4-carboxamide Traditional Name: 2-[(4-fluorophenoxy)methyl]-N-[4-(isovalerylamino)phenyl]thiazole-4-carboxamide Formula: C22H22FN3O3S MolecularWeight: 427.491783

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC=C(C=C1)NC(=O)C2=CSC(=N2)COC3=CC=C(C=C3)F

Isomeric SMILES

CC(C)CC(=O)NC1=CC=C(C=C1)NC(=O)C2=CSC(=N2)COC3=CC=C(C=C3)F

InChI

InChI=1S/C22H22FN3O3S/c1-14(2)11-20(27)24-16-5-7-17(8-6-16)25-22(28)19-13-30-21(26-19)12-29-18-9-3-15(23)4-10-18/h3-10,13-14H,11-12H2,1-2H3,(H,24,27)(H,25,28)