3-phenyl-N-[2,2,2-tris(chloranyl)-1-(pyridin-2-ylcarbamothioylamino)ethyl]propanamide

Systemtic Name: 3-phenyl-N-[2,2,2-tris(chloranyl)-1-(pyridin-2-ylcarbamothioylamino)ethyl]propanamide Openeye Name: 3-phenyl-N-[2,2,2-trichloro-1-(2-pyridylcarbamothioylamino)ethyl]propanamide CAS Name: 3-phenyl-N-[2,2,2-trichloro-1-[[(2-pyridinylamino)-sulfanylidenemethyl]amino]ethyl]propanamide IUPAC Name: 3-phenyl-N-[2,2,2-trichloro-1-(pyridin-2-ylcarbamothioylamino)ethyl]propanamide Traditional Name: 3-phenyl-N-[2,2,2-trichloro-1-(2-pyridylthiocarbamoylamino)ethyl]propionamide Formula: C17H17Cl3N4OS MolecularWeight: 431.76708

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC2=CC=CC=N2

Isomeric SMILES

C1=CC=C(C=C1)CCC(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC2=CC=CC=N2

InChI

InChI=1S/C17H17Cl3N4OS/c18-17(19,20)15(24-16(26)22-13-8-4-5-11-21-13)23-14(25)10-9-12-6-2-1-3-7-12/h1-8,11,15H,9-10H2,(H,23,25)(H2,21,22,24,26)