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

Systemtic Name: N-[2,2,2-tris(chloranyl)-1-(naphthalen-1-ylcarbamothioylamino)ethyl]octadecanamide Openeye Name: N-[2,2,2-trichloro-1-(1-naphthylcarbamothioylamino)ethyl]octadecanamide CAS Name: N-[2,2,2-trichloro-1-[[(1-naphthalenylamino)-sulfanylidenemethyl]amino]ethyl]octadecanamide IUPAC Name: N-[2,2,2-trichloro-1-(naphthalen-1-ylcarbamothioylamino)ethyl]octadecanamide Traditional Name: N-[2,2,2-trichloro-1-(1-naphthylthiocarbamoylamino)ethyl]stearamide Formula: C31H46Cl3N3OS MolecularWeight: 615.14044

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H46Cl3N3OS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-24-28(38)36-29(31(32,33)34)37-30(39)35-27-23-19-21-25-20-17-18-22-26(25)27/h17-23,29H,2-16,24H2,1H3,(H,36,38)(H2,35,37,39)