4-methyl-N-[2,2,2-tris(chloranyl)-1-(phenylazanylcarbamothioylamino)ethyl]benzamide

Systemtic Name: 4-methyl-N-[2,2,2-tris(chloranyl)-1-(phenylazanylcarbamothioylamino)ethyl]benzamide Openeye Name: N-[1-(anilinocarbamothioylamino)-2,2,2-trichloro-ethyl]-4-methyl-benzamide CAS Name: 4-methyl-N-[2,2,2-trichloro-1-[[(phenylhydrazo)-sulfanylidenemethyl]amino]ethyl]benzamide IUPAC Name: N-[1-(anilinocarbamothioylamino)-2,2,2-trichloroethyl]-4-methylbenzamide Traditional Name: N-[1-(anilinothiocarbamoylamino)-2,2,2-trichloro-ethyl]-4-methyl-benzamide Formula: C17H17Cl3N4OS MolecularWeight: 431.76708

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC(C(Cl)(Cl)Cl)NC(=S)NNC2=CC=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC(C(Cl)(Cl)Cl)NC(=S)NNC2=CC=CC=C2

InChI

InChI=1S/C17H17Cl3N4OS/c1-11-7-9-12(10-8-11)14(25)21-15(17(18,19)20)22-16(26)24-23-13-5-3-2-4-6-13/h2-10,15,23H,1H3,(H,21,25)(H2,22,24,26)