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

Systemtic Name: 4-bromanyl-N-[2,2,2-tris(chloranyl)-1-(quinolin-8-ylcarbamothioylamino)ethyl]benzamide Openeye Name: 4-bromo-N-[2,2,2-trichloro-1-(8-quinolylcarbamothioylamino)ethyl]benzamide CAS Name: 4-bromo-N-[2,2,2-trichloro-1-[[(8-quinolinylamino)-sulfanylidenemethyl]amino]ethyl]benzamide IUPAC Name: 4-bromo-N-[2,2,2-trichloro-1-(quinolin-8-ylcarbamothioylamino)ethyl]benzamide Traditional Name: 4-bromo-N-[2,2,2-trichloro-1-(8-quinolylthiocarbamoylamino)ethyl]benzamide Formula: C19H14BrCl3N4OS MolecularWeight: 532.66866

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)NC(=S)NC(C(Cl)(Cl)Cl)NC(=O)C3=CC=C(C=C3)Br)N=CC=C2

Isomeric SMILES

C1=CC2=C(C(=C1)NC(=S)NC(C(Cl)(Cl)Cl)NC(=O)C3=CC=C(C=C3)Br)N=CC=C2

InChI

InChI=1S/C19H14BrCl3N4OS/c20-13-8-6-12(7-9-13)16(28)26-17(19(21,22)23)27-18(29)25-14-5-1-3-11-4-2-10-24-15(11)14/h1-10,17H,(H,26,28)(H2,25,27,29)