N-[2,2,2-tris(chloranyl)-1-(phenylcarbamothioylamino)ethyl]nonanamide

Systemtic Name: N-[2,2,2-tris(chloranyl)-1-(phenylcarbamothioylamino)ethyl]nonanamide Openeye Name: N-[2,2,2-trichloro-1-(phenylcarbamothioylamino)ethyl]nonanamide CAS Name: N-[1-[[anilino(sulfanylidene)methyl]amino]-2,2,2-trichloroethyl]nonanamide IUPAC Name: N-[2,2,2-trichloro-1-(phenylcarbamothioylamino)ethyl]nonanamide Traditional Name: N-[2,2,2-trichloro-1-(phenylthiocarbamoylamino)ethyl]pelargonamide Formula: C18H26Cl3N3OS MolecularWeight: 438.84254

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC1=CC=CC=C1

Isomeric SMILES

CCCCCCCCC(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC1=CC=CC=C1

InChI

InChI=1S/C18H26Cl3N3OS/c1-2-3-4-5-6-10-13-15(25)23-16(18(19,20)21)24-17(26)22-14-11-8-7-9-12-14/h7-9,11-12,16H,2-6,10,13H2,1H3,(H,23,25)(H2,22,24,26)