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

Systemtic Name: N-[2,2,2-tris(chloranyl)-1-(phenylcarbamothioylamino)ethyl]tetradecanamide Openeye Name: N-[2,2,2-trichloro-1-(phenylcarbamothioylamino)ethyl]tetradecanamide CAS Name: N-[1-[[anilino(sulfanylidene)methyl]amino]-2,2,2-trichloroethyl]tetradecanamide IUPAC Name: N-[2,2,2-trichloro-1-(phenylcarbamothioylamino)ethyl]tetradecanamide Traditional Name: N-[2,2,2-trichloro-1-(phenylthiocarbamoylamino)ethyl]myristamide Formula: C23H36Cl3N3OS MolecularWeight: 508.97544

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H36Cl3N3OS/c1-2-3-4-5-6-7-8-9-10-11-15-18-20(30)28-21(23(24,25)26)29-22(31)27-19-16-13-12-14-17-19/h12-14,16-17,21H,2-11,15,18H2,1H3,(H,28,30)(H2,27,29,31)