2-methyl-N-[2,2,2-tris(chloranyl)-1-(pyridin-2-ylcarbamothioylamino)ethyl]benzamide

Systemtic Name: 2-methyl-N-[2,2,2-tris(chloranyl)-1-(pyridin-2-ylcarbamothioylamino)ethyl]benzamide Openeye Name: 2-methyl-N-[2,2,2-trichloro-1-(2-pyridylcarbamothioylamino)ethyl]benzamide CAS Name: 2-methyl-N-[2,2,2-trichloro-1-[[(2-pyridinylamino)-sulfanylidenemethyl]amino]ethyl]benzamide IUPAC Name: 2-methyl-N-[2,2,2-trichloro-1-(pyridin-2-ylcarbamothioylamino)ethyl]benzamide Traditional Name: 2-methyl-N-[2,2,2-trichloro-1-(2-pyridylthiocarbamoylamino)ethyl]benzamide Formula: C16H15Cl3N4OS MolecularWeight: 417.7405

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC2=CC=CC=N2

Isomeric SMILES

CC1=CC=CC=C1C(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC2=CC=CC=N2

InChI

InChI=1S/C16H15Cl3N4OS/c1-10-6-2-3-7-11(10)13(24)22-14(16(17,18)19)23-15(25)21-12-8-4-5-9-20-12/h2-9,14H,1H3,(H,22,24)(H2,20,21,23,25)