2-heptoxy-5-(trifluoromethyl)benzenecarbothioamide

Systemtic Name: 2-heptoxy-5-(trifluoromethyl)benzenecarbothioamide Openeye Name: 2-heptoxy-5-(trifluoromethyl)benzenecarbothioamide CAS Name: 2-heptoxy-5-(trifluoromethyl)benzenecarbothioamide IUPAC Name: 2-heptoxy-5-(trifluoromethyl)benzenecarbothioamide Traditional Name: 2-heptoxy-5-(trifluoromethyl)thiobenzamide Formula: C15H20F3NOS MolecularWeight: 319.38561

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=C(C=C(C=C1)C(F)(F)F)C(=S)N

Isomeric SMILES

CCCCCCCOC1=C(C=C(C=C1)C(F)(F)F)C(=S)N

InChI

InChI=1S/C15H20F3NOS/c1-2-3-4-5-6-9-20-13-8-7-11(15(16,17)18)10-12(13)14(19)21/h7-8,10H,2-6,9H2,1H3,(H2,19,21)