3-fluoranyl-4-(4-methylpentoxy)benzenecarbothioamide

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCOC1=C(C=C(C=C1)C(=S)N)F

Isomeric SMILES

CC(C)CCCOC1=C(C=C(C=C1)C(=S)N)F

InChI

InChI=1S/C13H18FNOS/c1-9(2)4-3-7-16-12-6-5-10(13(15)17)8-11(12)14/h5-6,8-9H,3-4,7H2,1-2H3,(H2,15,17)