N-[2-butoxy-4-[1-(4-fluorophenyl)ethylcarbamothioylamino]phenyl]-2-fluoranyl-benzamide

Systemtic Name: N-[2-butoxy-4-[1-(4-fluorophenyl)ethylcarbamothioylamino]phenyl]-2-fluoranyl-benzamide Openeye Name: N-[2-butoxy-4-[1-(4-fluorophenyl)ethylcarbamothioylamino]phenyl]-2-fluoro-benzamide CAS Name: N-[2-butoxy-4-[[[1-(4-fluorophenyl)ethylamino]-sulfanylidenemethyl]amino]phenyl]-2-fluorobenzamide IUPAC Name: N-[2-butoxy-4-[1-(4-fluorophenyl)ethylcarbamothioylamino]phenyl]-2-fluorobenzamide Traditional Name: N-[2-butoxy-4-[1-(4-fluorophenyl)ethylthiocarbamoylamino]phenyl]-2-fluoro-benzamide Formula: C26H27F2N3O2S MolecularWeight: 483.573286

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=CC(=C1)NC(=S)NC(C)C2=CC=C(C=C2)F)NC(=O)C3=CC=CC=C3F

Isomeric SMILES

CCCCOC1=C(C=CC(=C1)NC(=S)NC(C)C2=CC=C(C=C2)F)NC(=O)C3=CC=CC=C3F

InChI

InChI=1S/C26H27F2N3O2S/c1-3-4-15-33-24-16-20(30-26(34)29-17(2)18-9-11-19(27)12-10-18)13-14-23(24)31-25(32)21-7-5-6-8-22(21)28/h5-14,16-17H,3-4,15H2,1-2H3,(H,31,32)(H2,29,30,34)