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

Systemtic Name: N-[2,2,2-tris(chloranyl)-1-(quinolin-8-ylcarbamothioylamino)ethyl]propanamide Openeye Name: N-[2,2,2-trichloro-1-(8-quinolylcarbamothioylamino)ethyl]propanamide CAS Name: N-[2,2,2-trichloro-1-[[(8-quinolinylamino)-sulfanylidenemethyl]amino]ethyl]propanamide IUPAC Name: N-[2,2,2-trichloro-1-(quinolin-8-ylcarbamothioylamino)ethyl]propanamide Traditional Name: N-[2,2,2-trichloro-1-(8-quinolylthiocarbamoylamino)ethyl]propionamide Formula: C15H15Cl3N4OS MolecularWeight: 405.7298

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC1=CC=CC2=C1N=CC=C2

Isomeric SMILES

CCC(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC1=CC=CC2=C1N=CC=C2

InChI

InChI=1S/C15H15Cl3N4OS/c1-2-11(23)21-13(15(16,17)18)22-14(24)20-10-7-3-5-9-6-4-8-19-12(9)10/h3-8,13H,2H2,1H3,(H,21,23)(H2,20,22,24)