4-fluoranyl-3-(3-methylbutoxymethyl)benzenecarbothioamide

Systemtic Name: 4-fluoranyl-3-(3-methylbutoxymethyl)benzenecarbothioamide Openeye Name: 4-fluoro-3-(isopentyloxymethyl)benzenecarbothioamide CAS Name: 4-fluoro-3-(3-methylbutoxymethyl)benzenecarbothioamide IUPAC Name: 4-fluoro-3-(3-methylbutoxymethyl)benzenecarbothioamide Traditional Name: 4-fluoro-3-(isoamoxymethyl)thiobenzamide Formula: C13H18FNOS MolecularWeight: 255.351523

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOCC1=C(C=CC(=C1)C(=S)N)F

Isomeric SMILES

CC(C)CCOCC1=C(C=CC(=C1)C(=S)N)F

InChI

InChI=1S/C13H18FNOS/c1-9(2)5-6-16-8-11-7-10(13(15)17)3-4-12(11)14/h3-4,7,9H,5-6,8H2,1-2H3,(H2,15,17)