3-fluoranyl-4-(4-methylpentan-2-yloxymethyl)benzenecarbothioamide

Systemtic Name: 3-fluoranyl-4-(4-methylpentan-2-yloxymethyl)benzenecarbothioamide Openeye Name: 4-(1,3-dimethylbutoxymethyl)-3-fluoro-benzenecarbothioamide CAS Name: 3-fluoro-4-(4-methylpentan-2-yloxymethyl)benzenecarbothioamide IUPAC Name: 3-fluoro-4-(4-methylpentan-2-yloxymethyl)benzenecarbothioamide Traditional Name: 4-(1,3-dimethylbutoxymethyl)-3-fluoro-thiobenzamide Formula: C14H20FNOS MolecularWeight: 269.378103

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C)OCC1=C(C=C(C=C1)C(=S)N)F

Isomeric SMILES

CC(C)CC(C)OCC1=C(C=C(C=C1)C(=S)N)F

InChI

InChI=1S/C14H20FNOS/c1-9(2)6-10(3)17-8-12-5-4-11(14(16)18)7-13(12)15/h4-5,7,9-10H,6,8H2,1-3H3,(H2,16,18)