N-[2,2,2-tris(chloranyl)-1-(phenylcarbamothioylamino)ethyl]hexadecanamide

Systemtic Name: N-[2,2,2-tris(chloranyl)-1-(phenylcarbamothioylamino)ethyl]hexadecanamide Openeye Name: N-[2,2,2-trichloro-1-(phenylcarbamothioylamino)ethyl]hexadecanamide CAS Name: N-[1-[[anilino(sulfanylidene)methyl]amino]-2,2,2-trichloroethyl]hexadecanamide IUPAC Name: N-[2,2,2-trichloro-1-(phenylcarbamothioylamino)ethyl]hexadecanamide Traditional Name: N-[2,2,2-trichloro-1-(phenylthiocarbamoylamino)ethyl]palmitamide Formula: C25H40Cl3N3OS MolecularWeight: 537.0286

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC1=CC=CC=C1

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC1=CC=CC=C1

InChI

InChI=1S/C25H40Cl3N3OS/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-22(32)30-23(25(26,27)28)31-24(33)29-21-18-15-14-16-19-21/h14-16,18-19,23H,2-13,17,20H2,1H3,(H,30,32)(H2,29,31,33)