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

Systemtic Name: 1-benzofuran-2-yl N-[4-[1-(4-cyanophenyl)ethylcarbamothioylamino]phenyl]carbamate Openeye Name: benzofuran-2-yl N-[4-[1-(4-cyanophenyl)ethylcarbamothioylamino]phenyl]carbamate CAS Name: N-[4-[[[1-(4-cyanophenyl)ethylamino]-sulfanylidenemethyl]amino]phenyl]carbamic acid 2-benzofuranyl ester IUPAC Name: 1-benzofuran-2-yl N-[4-[1-(4-cyanophenyl)ethylcarbamothioylamino]phenyl]carbamate Traditional Name: N-[4-[1-(4-cyanophenyl)ethylthiocarbamoylamino]phenyl]carbamic acid benzofuran-2-yl ester Formula: C25H20N4O3S MolecularWeight: 456.5163

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H20N4O3S/c1-16(18-8-6-17(15-26)7-9-18)27-24(33)28-20-10-12-21(13-11-20)29-25(30)32-23-14-19-4-2-3-5-22(19)31-23/h2-14,16H,1H3,(H,29,30)(H2,27,28,33)