N-[[2-[2,4-bis(chloranyl)phenoxy]propanoylamino]carbamothioyl]octanamide

Systemtic Name: N-[[2-[2,4-bis(chloranyl)phenoxy]propanoylamino]carbamothioyl]octanamide Openeye Name: N-[[2-(2,4-dichlorophenoxy)propanoylamino]carbamothioyl]octanamide CAS Name: N-[[[2-(2,4-dichlorophenoxy)-1-oxopropyl]hydrazo]-sulfanylidenemethyl]octanamide IUPAC Name: N-[[2-(2,4-dichlorophenoxy)propanoylamino]carbamothioyl]octanamide Traditional Name: N-[[2-(2,4-dichlorophenoxy)propanoylamino]thiocarbamoyl]caprylamide Formula: C18H25Cl2N3O3S MolecularWeight: 434.3804

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)NC(=S)NNC(=O)C(C)OC1=C(C=C(C=C1)Cl)Cl

Isomeric SMILES

CCCCCCCC(=O)NC(=S)NNC(=O)C(C)OC1=C(C=C(C=C1)Cl)Cl

InChI

InChI=1S/C18H25Cl2N3O3S/c1-3-4-5-6-7-8-16(24)21-18(27)23-22-17(25)12(2)26-15-10-9-13(19)11-14(15)20/h9-12H,3-8H2,1-2H3,(H,22,25)(H2,21,23,24,27)