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

Systemtic Name: N-[(3-fluorophenyl)methyl]-2-(3-methylbutanoylamino)-1,3-thiazole-4-carboxamide Openeye Name: N-[(3-fluorophenyl)methyl]-2-(3-methylbutanoylamino)thiazole-4-carboxamide CAS Name: N-[(3-fluorophenyl)methyl]-2-[(3-methyl-1-oxobutyl)amino]-4-thiazolecarboxamide IUPAC Name: N-[(3-fluorophenyl)methyl]-2-(3-methylbutanoylamino)-1,3-thiazole-4-carboxamide Traditional Name: N-(3-fluorobenzyl)-2-(isovalerylamino)thiazole-4-carboxamide Formula: C16H18FN3O2S MolecularWeight: 335.396423

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=NC(=CS1)C(=O)NCC2=CC(=CC=C2)F

Isomeric SMILES

CC(C)CC(=O)NC1=NC(=CS1)C(=O)NCC2=CC(=CC=C2)F

InChI

InChI=1S/C16H18FN3O2S/c1-10(2)6-14(21)20-16-19-13(9-23-16)15(22)18-8-11-4-3-5-12(17)7-11/h3-5,7,9-10H,6,8H2,1-2H3,(H,18,22)(H,19,20,21)