N-[[2-[2,4-bis(chloranyl)phenoxy]propanoylamino]carbamothioyl]-5-bromanyl-2-propoxy-benzamide

Systemtic Name: N-[[2-[2,4-bis(chloranyl)phenoxy]propanoylamino]carbamothioyl]-5-bromanyl-2-propoxy-benzamide Openeye Name: 5-bromo-N-[[2-(2,4-dichlorophenoxy)propanoylamino]carbamothioyl]-2-propoxy-benzamide CAS Name: 5-bromo-N-[[[2-(2,4-dichlorophenoxy)-1-oxopropyl]hydrazo]-sulfanylidenemethyl]-2-propoxybenzamide IUPAC Name: 5-bromo-N-[[2-(2,4-dichlorophenoxy)propanoylamino]carbamothioyl]-2-propoxybenzamide Traditional Name: 5-bromo-N-[[2-(2,4-dichlorophenoxy)propanoylamino]thiocarbamoyl]-2-propoxy-benzamide Formula: C20H20BrCl2N3O4S MolecularWeight: 549.2655

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NNC(=O)C(C)OC2=C(C=C(C=C2)Cl)Cl

Isomeric SMILES

CCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NNC(=O)C(C)OC2=C(C=C(C=C2)Cl)Cl

InChI

InChI=1S/C20H20BrCl2N3O4S/c1-3-8-29-16-6-4-12(21)9-14(16)19(28)24-20(31)26-25-18(27)11(2)30-17-7-5-13(22)10-15(17)23/h4-7,9-11H,3,8H2,1-2H3,(H,25,27)(H2,24,26,28,31)