N-[[2-[2,4-bis(chloranyl)phenoxy]propanoylamino]carbamothioyl]-3-bromanyl-4-butoxy-benzamide

Systemtic Name: N-[[2-[2,4-bis(chloranyl)phenoxy]propanoylamino]carbamothioyl]-3-bromanyl-4-butoxy-benzamide Openeye Name: 3-bromo-4-butoxy-N-[[2-(2,4-dichlorophenoxy)propanoylamino]carbamothioyl]benzamide CAS Name: 3-bromo-4-butoxy-N-[[[2-(2,4-dichlorophenoxy)-1-oxopropyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-butoxy-N-[[2-(2,4-dichlorophenoxy)propanoylamino]carbamothioyl]benzamide Traditional Name: 3-bromo-4-butoxy-N-[[2-(2,4-dichlorophenoxy)propanoylamino]thiocarbamoyl]benzamide Formula: C21H22BrCl2N3O4S MolecularWeight: 563.29208

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)C(C)OC2=C(C=C(C=C2)Cl)Cl)Br

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)C(C)OC2=C(C=C(C=C2)Cl)Cl)Br

InChI

InChI=1S/C21H22BrCl2N3O4S/c1-3-4-9-30-17-7-5-13(10-15(17)22)20(29)25-21(32)27-26-19(28)12(2)31-18-8-6-14(23)11-16(18)24/h5-8,10-12H,3-4,9H2,1-2H3,(H,26,28)(H2,25,27,29,32)