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

Systemtic Name: N-[2,2,2-tris(chloranyl)-1-(naphthalen-1-ylcarbamothioylamino)ethyl]pentadecanamide Openeye Name: N-[2,2,2-trichloro-1-(1-naphthylcarbamothioylamino)ethyl]pentadecanamide CAS Name: N-[2,2,2-trichloro-1-[[(1-naphthalenylamino)-sulfanylidenemethyl]amino]ethyl]pentadecanamide IUPAC Name: N-[2,2,2-trichloro-1-(naphthalen-1-ylcarbamothioylamino)ethyl]pentadecanamide Traditional Name: N-[2,2,2-trichloro-1-(1-naphthylthiocarbamoylamino)ethyl]pentadecanamide Formula: C28H40Cl3N3OS MolecularWeight: 573.0607

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H40Cl3N3OS/c1-2-3-4-5-6-7-8-9-10-11-12-13-21-25(35)33-26(28(29,30)31)34-27(36)32-24-20-16-18-22-17-14-15-19-23(22)24/h14-20,26H,2-13,21H2,1H3,(H,33,35)(H2,32,34,36)