2-methyl-N-[2,2,2-tris(chloranyl)-1-(pyridin-3-ylcarbamothioylamino)ethyl]benzamide

Systemtic Name: 2-methyl-N-[2,2,2-tris(chloranyl)-1-(pyridin-3-ylcarbamothioylamino)ethyl]benzamide Openeye Name: 2-methyl-N-[2,2,2-trichloro-1-(3-pyridylcarbamothioylamino)ethyl]benzamide CAS Name: 2-methyl-N-[2,2,2-trichloro-1-[[(3-pyridinylamino)-sulfanylidenemethyl]amino]ethyl]benzamide IUPAC Name: 2-methyl-N-[2,2,2-trichloro-1-(pyridin-3-ylcarbamothioylamino)ethyl]benzamide Traditional Name: 2-methyl-N-[2,2,2-trichloro-1-(3-pyridylthiocarbamoylamino)ethyl]benzamide Formula: C16H15Cl3N4OS MolecularWeight: 417.7405

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC2=CN=CC=C2

Isomeric SMILES

CC1=CC=CC=C1C(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC2=CN=CC=C2

InChI

InChI=1S/C16H15Cl3N4OS/c1-10-5-2-3-7-12(10)13(24)22-14(16(17,18)19)23-15(25)21-11-6-4-8-20-9-11/h2-9,14H,1H3,(H,22,24)(H2,21,23,25)