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

Systemtic Name: N-[2-butoxy-4-[1-(4-cyanophenyl)ethylcarbamothioylamino]phenyl]-2-fluoranyl-benzamide Openeye Name: N-[2-butoxy-4-[1-(4-cyanophenyl)ethylcarbamothioylamino]phenyl]-2-fluoro-benzamide CAS Name: N-[2-butoxy-4-[[[1-(4-cyanophenyl)ethylamino]-sulfanylidenemethyl]amino]phenyl]-2-fluorobenzamide IUPAC Name: N-[2-butoxy-4-[1-(4-cyanophenyl)ethylcarbamothioylamino]phenyl]-2-fluorobenzamide Traditional Name: N-[2-butoxy-4-[1-(4-cyanophenyl)ethylthiocarbamoylamino]phenyl]-2-fluoro-benzamide Formula: C27H27FN4O2S MolecularWeight: 490.592283

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)C#N)NC(=O)C3=CC=CC=C3F

Isomeric SMILES

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

InChI

InChI=1S/C27H27FN4O2S/c1-3-4-15-34-25-16-21(13-14-24(25)32-26(33)22-7-5-6-8-23(22)28)31-27(35)30-18(2)20-11-9-19(17-29)10-12-20/h5-14,16,18H,3-4,15H2,1-2H3,(H,32,33)(H2,30,31,35)