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

Systemtic Name: N-[2,2,2-tris(chloranyl)-1-(phenylcarbamothioylamino)ethyl]octadecanamide Openeye Name: N-[2,2,2-trichloro-1-(phenylcarbamothioylamino)ethyl]octadecanamide CAS Name: N-[1-[[anilino(sulfanylidene)methyl]amino]-2,2,2-trichloroethyl]octadecanamide IUPAC Name: N-[2,2,2-trichloro-1-(phenylcarbamothioylamino)ethyl]octadecanamide Traditional Name: N-[2,2,2-trichloro-1-(phenylthiocarbamoylamino)ethyl]stearamide Formula: C27H44Cl3N3OS MolecularWeight: 565.08176

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H44Cl3N3OS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-24(34)32-25(27(28,29)30)33-26(35)31-23-20-17-16-18-21-23/h16-18,20-21,25H,2-15,19,22H2,1H3,(H,32,34)(H2,31,33,35)