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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NNC(=O)CCCOC2=C(C=C(C=C2)Cl)Cl

Isomeric SMILES

CCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NNC(=O)CCCOC2=C(C=C(C=C2)Cl)Cl

InChI

InChI=1S/C20H20BrCl2N3O4S/c1-2-29-16-7-5-12(21)10-14(16)19(28)24-20(31)26-25-18(27)4-3-9-30-17-8-6-13(22)11-15(17)23/h5-8,10-11H,2-4,9H2,1H3,(H,25,27)(H2,24,26,28,31)