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

Systemtic Name: N-[[2-[2,4-bis(chloranyl)phenoxy]propanoylamino]carbamothioyl]-5-bromanyl-2-phenethyloxy-benzamide Openeye Name: 5-bromo-N-[[2-(2,4-dichlorophenoxy)propanoylamino]carbamothioyl]-2-phenethyloxy-benzamide CAS Name: 5-bromo-N-[[[2-(2,4-dichlorophenoxy)-1-oxopropyl]hydrazo]-sulfanylidenemethyl]-2-phenethyloxybenzamide IUPAC Name: 5-bromo-N-[[2-(2,4-dichlorophenoxy)propanoylamino]carbamothioyl]-2-phenethyloxybenzamide Traditional Name: 5-bromo-N-[[2-(2,4-dichlorophenoxy)propanoylamino]thiocarbamoyl]-2-phenethyloxy-benzamide Formula: C25H22BrCl2N3O4S MolecularWeight: 611.33488

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NNC(=S)NC(=O)C1=C(C=CC(=C1)Br)OCCC2=CC=CC=C2)OC3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

CC(C(=O)NNC(=S)NC(=O)C1=C(C=CC(=C1)Br)OCCC2=CC=CC=C2)OC3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C25H22BrCl2N3O4S/c1-15(35-22-10-8-18(27)14-20(22)28)23(32)30-31-25(36)29-24(33)19-13-17(26)7-9-21(19)34-12-11-16-5-3-2-4-6-16/h2-10,13-15H,11-12H2,1H3,(H,30,32)(H2,29,31,33,36)