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

Systemtic Name: N-[2,2,2-tris(chloranyl)-1-(quinolin-8-ylcarbamothioylamino)ethyl]ethanamide Openeye Name: N-[2,2,2-trichloro-1-(8-quinolylcarbamothioylamino)ethyl]acetamide CAS Name: N-[2,2,2-trichloro-1-[[(8-quinolinylamino)-sulfanylidenemethyl]amino]ethyl]acetamide IUPAC Name: N-[2,2,2-trichloro-1-(quinolin-8-ylcarbamothioylamino)ethyl]acetamide Traditional Name: N-[2,2,2-trichloro-1-(8-quinolylthiocarbamoylamino)ethyl]acetamide Formula: C14H13Cl3N4OS MolecularWeight: 391.70322

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13Cl3N4OS/c1-8(22)19-12(14(15,16)17)21-13(23)20-10-6-2-4-9-5-3-7-18-11(9)10/h2-7,12H,1H3,(H,19,22)(H2,20,21,23)