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

Systemtic Name: N-[[4-[2,4-bis(chloranyl)phenoxy]butanoylamino]carbamothioyl]-5-bromanyl-furan-2-carboxamide Openeye Name: 5-bromo-N-[[4-(2,4-dichlorophenoxy)butanoylamino]carbamothioyl]furan-2-carboxamide CAS Name: 5-bromo-N-[[[4-(2,4-dichlorophenoxy)-1-oxobutyl]hydrazo]-sulfanylidenemethyl]-2-furancarboxamide IUPAC Name: 5-bromo-N-[[4-(2,4-dichlorophenoxy)butanoylamino]carbamothioyl]furan-2-carboxamide Traditional Name: 5-bromo-N-[[4-(2,4-dichlorophenoxy)butanoylamino]thiocarbamoyl]-2-furamide Formula: C16H14BrCl2N3O4S MolecularWeight: 495.17506

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Cl)Cl)OCCCC(=O)NNC(=S)NC(=O)C2=CC=C(O2)Br

Isomeric SMILES

C1=CC(=C(C=C1Cl)Cl)OCCCC(=O)NNC(=S)NC(=O)C2=CC=C(O2)Br

InChI

InChI=1S/C16H14BrCl2N3O4S/c17-13-6-5-12(26-13)15(24)20-16(27)22-21-14(23)2-1-7-25-11-4-3-9(18)8-10(11)19/h3-6,8H,1-2,7H2,(H,21,23)(H2,20,22,24,27)