1-benzofuran-2-yl N-[2-cyano-4-[1-(4-fluorophenyl)ethylcarbamothioylamino]phenyl]carbamate

Systemtic Name: 1-benzofuran-2-yl N-[2-cyano-4-[1-(4-fluorophenyl)ethylcarbamothioylamino]phenyl]carbamate Openeye Name: benzofuran-2-yl N-[2-cyano-4-[1-(4-fluorophenyl)ethylcarbamothioylamino]phenyl]carbamate CAS Name: N-[2-cyano-4-[[[1-(4-fluorophenyl)ethylamino]-sulfanylidenemethyl]amino]phenyl]carbamic acid 2-benzofuranyl ester IUPAC Name: 1-benzofuran-2-yl N-[2-cyano-4-[1-(4-fluorophenyl)ethylcarbamothioylamino]phenyl]carbamate Traditional Name: N-[2-cyano-4-[1-(4-fluorophenyl)ethylthiocarbamoylamino]phenyl]carbamic acid benzofuran-2-yl ester Formula: C25H19FN4O3S MolecularWeight: 474.506763

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)F)NC(=S)NC2=CC(=C(C=C2)NC(=O)OC3=CC4=CC=CC=C4O3)C#N

Isomeric SMILES

CC(C1=CC=C(C=C1)F)NC(=S)NC2=CC(=C(C=C2)NC(=O)OC3=CC4=CC=CC=C4O3)C#N

InChI

InChI=1S/C25H19FN4O3S/c1-15(16-6-8-19(26)9-7-16)28-24(34)29-20-10-11-21(18(12-20)14-27)30-25(31)33-23-13-17-4-2-3-5-22(17)32-23/h2-13,15H,1H3,(H,30,31)(H2,28,29,34)