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

Systemtic Name: N-[2,2,2-tris(chloranyl)-1-(naphthalen-1-ylcarbamothioylamino)ethyl]tetradecanamide Openeye Name: N-[2,2,2-trichloro-1-(1-naphthylcarbamothioylamino)ethyl]tetradecanamide CAS Name: N-[2,2,2-trichloro-1-[[(1-naphthalenylamino)-sulfanylidenemethyl]amino]ethyl]tetradecanamide IUPAC Name: N-[2,2,2-trichloro-1-(naphthalen-1-ylcarbamothioylamino)ethyl]tetradecanamide Traditional Name: N-[2,2,2-trichloro-1-(1-naphthylthiocarbamoylamino)ethyl]myristamide Formula: C27H38Cl3N3OS MolecularWeight: 559.03412

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC1=CC=CC2=CC=CC=C21

Isomeric SMILES

CCCCCCCCCCCCCC(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC1=CC=CC2=CC=CC=C21

InChI

InChI=1S/C27H38Cl3N3OS/c1-2-3-4-5-6-7-8-9-10-11-12-20-24(34)32-25(27(28,29)30)33-26(35)31-23-19-15-17-21-16-13-14-18-22(21)23/h13-19,25H,2-12,20H2,1H3,(H,32,34)(H2,31,33,35)