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

Systemtic Name: 4-fluoranyl-3-(octan-2-yloxymethyl)benzenecarbothioamide Openeye Name: 4-fluoro-3-(1-methylheptoxymethyl)benzenecarbothioamide CAS Name: 4-fluoro-3-(octan-2-yloxymethyl)benzenecarbothioamide IUPAC Name: 4-fluoro-3-(octan-2-yloxymethyl)benzenecarbothioamide Traditional Name: 4-fluoro-3-(1-methylheptoxymethyl)thiobenzamide Formula: C16H24FNOS MolecularWeight: 297.431263

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24FNOS/c1-3-4-5-6-7-12(2)19-11-14-10-13(16(18)20)8-9-15(14)17/h8-10,12H,3-7,11H2,1-2H3,(H2,18,20)