4-methyl-N-[2,2,2-tris(chloranyl)-1-(pyrimidin-5-ylcarbamothioylamino)ethyl]benzamide

Systemtic Name: 4-methyl-N-[2,2,2-tris(chloranyl)-1-(pyrimidin-5-ylcarbamothioylamino)ethyl]benzamide Openeye Name: 4-methyl-N-[2,2,2-trichloro-1-(pyrimidin-5-ylcarbamothioylamino)ethyl]benzamide CAS Name: 4-methyl-N-[2,2,2-trichloro-1-[[(5-pyrimidinylamino)-sulfanylidenemethyl]amino]ethyl]benzamide IUPAC Name: 4-methyl-N-[2,2,2-trichloro-1-(pyrimidin-5-ylcarbamothioylamino)ethyl]benzamide Traditional Name: 4-methyl-N-[2,2,2-trichloro-1-(5-pyrimidylthiocarbamoylamino)ethyl]benzamide Formula: C15H14Cl3N5OS MolecularWeight: 418.72856

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC2=CN=CN=C2

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC2=CN=CN=C2

InChI

InChI=1S/C15H14Cl3N5OS/c1-9-2-4-10(5-3-9)12(24)22-13(15(16,17)18)23-14(25)21-11-6-19-8-20-7-11/h2-8,13H,1H3,(H,22,24)(H2,21,23,25)