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

Systemtic Name: N-[2,2,2-tris(chloranyl)-1-(phenylcarbamothioylamino)ethyl]octanamide Openeye Name: N-[2,2,2-trichloro-1-(phenylcarbamothioylamino)ethyl]octanamide CAS Name: N-[1-[[anilino(sulfanylidene)methyl]amino]-2,2,2-trichloroethyl]octanamide IUPAC Name: N-[2,2,2-trichloro-1-(phenylcarbamothioylamino)ethyl]octanamide Traditional Name: N-[2,2,2-trichloro-1-(phenylthiocarbamoylamino)ethyl]caprylamide Formula: C17H24Cl3N3OS MolecularWeight: 424.81596

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24Cl3N3OS/c1-2-3-4-5-9-12-14(24)22-15(17(18,19)20)23-16(25)21-13-10-7-6-8-11-13/h6-8,10-11,15H,2-5,9,12H2,1H3,(H,22,24)(H2,21,23,25)