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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC2=CC=CC3=C2N=CC=C3

Isomeric SMILES

CC1=CC=CC=C1C(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC2=CC=CC3=C2N=CC=C3

InChI

InChI=1S/C20H17Cl3N4OS/c1-12-6-2-3-9-14(12)17(28)26-18(20(21,22)23)27-19(29)25-15-10-4-7-13-8-5-11-24-16(13)15/h2-11,18H,1H3,(H,26,28)(H2,25,27,29)