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

Systemtic Name: N-[2,2,2-tris(chloranyl)-1-(naphthalen-1-ylcarbamothioylamino)ethyl]octanamide Openeye Name: N-[2,2,2-trichloro-1-(1-naphthylcarbamothioylamino)ethyl]octanamide CAS Name: N-[2,2,2-trichloro-1-[[(1-naphthalenylamino)-sulfanylidenemethyl]amino]ethyl]octanamide IUPAC Name: N-[2,2,2-trichloro-1-(naphthalen-1-ylcarbamothioylamino)ethyl]octanamide Traditional Name: N-[2,2,2-trichloro-1-(1-naphthylthiocarbamoylamino)ethyl]caprylamide Formula: C21H26Cl3N3OS MolecularWeight: 474.87464

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26Cl3N3OS/c1-2-3-4-5-6-14-18(28)26-19(21(22,23)24)27-20(29)25-17-13-9-11-15-10-7-8-12-16(15)17/h7-13,19H,2-6,14H2,1H3,(H,26,28)(H2,25,27,29)