N-[2,2,2-tris(chloranyl)-1-[(2,4-dimethylphenyl)carbamothioylamino]ethyl]hexadecanamide

Systemtic Name: N-[2,2,2-tris(chloranyl)-1-[(2,4-dimethylphenyl)carbamothioylamino]ethyl]hexadecanamide Openeye Name: N-[2,2,2-trichloro-1-[(2,4-dimethylphenyl)carbamothioylamino]ethyl]hexadecanamide CAS Name: N-[2,2,2-trichloro-1-[[(2,4-dimethylanilino)-sulfanylidenemethyl]amino]ethyl]hexadecanamide IUPAC Name: N-[2,2,2-trichloro-1-[(2,4-dimethylphenyl)carbamothioylamino]ethyl]hexadecanamide Traditional Name: N-[2,2,2-trichloro-1-[(2,4-dimethylphenyl)thiocarbamoylamino]ethyl]palmitamide Formula: C27H44Cl3N3OS MolecularWeight: 565.08176

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H44Cl3N3OS/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(34)32-25(27(28,29)30)33-26(35)31-23-19-18-21(2)20-22(23)3/h18-20,25H,4-17H2,1-3H3,(H,32,34)(H2,31,33,35)