2-phenyl-N-[2,2,2-tris(chloranyl)-1-(quinolin-8-ylcarbamothioylamino)ethyl]ethanamide

Systemtic Name: 2-phenyl-N-[2,2,2-tris(chloranyl)-1-(quinolin-8-ylcarbamothioylamino)ethyl]ethanamide Openeye Name: 2-phenyl-N-[2,2,2-trichloro-1-(8-quinolylcarbamothioylamino)ethyl]acetamide CAS Name: 2-phenyl-N-[2,2,2-trichloro-1-[[(8-quinolinylamino)-sulfanylidenemethyl]amino]ethyl]acetamide IUPAC Name: 2-phenyl-N-[2,2,2-trichloro-1-(quinolin-8-ylcarbamothioylamino)ethyl]acetamide Traditional Name: 2-phenyl-N-[2,2,2-trichloro-1-(8-quinolylthiocarbamoylamino)ethyl]acetamide Formula: C20H17Cl3N4OS MolecularWeight: 467.79918

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC2=CC=CC3=C2N=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CC(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC2=CC=CC3=C2N=CC=C3

InChI

InChI=1S/C20H17Cl3N4OS/c21-20(22,23)18(26-16(28)12-13-6-2-1-3-7-13)27-19(29)25-15-10-4-8-14-9-5-11-24-17(14)15/h1-11,18H,12H2,(H,26,28)(H2,25,27,29)