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

Systemtic Name: N-[[4-[2,4-bis(chloranyl)phenoxy]butanoylamino]carbamothioyl]-3-bromanyl-4-butoxy-benzamide Openeye Name: 3-bromo-4-butoxy-N-[[4-(2,4-dichlorophenoxy)butanoylamino]carbamothioyl]benzamide CAS Name: 3-bromo-4-butoxy-N-[[[4-(2,4-dichlorophenoxy)-1-oxobutyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-butoxy-N-[[4-(2,4-dichlorophenoxy)butanoylamino]carbamothioyl]benzamide Traditional Name: 3-bromo-4-butoxy-N-[[4-(2,4-dichlorophenoxy)butanoylamino]thiocarbamoyl]benzamide Formula: C22H24BrCl2N3O4S MolecularWeight: 577.31866

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)CCCOC2=C(C=C(C=C2)Cl)Cl)Br

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)CCCOC2=C(C=C(C=C2)Cl)Cl)Br

InChI

InChI=1S/C22H24BrCl2N3O4S/c1-2-3-10-31-18-8-6-14(12-16(18)23)21(30)26-22(33)28-27-20(29)5-4-11-32-19-9-7-15(24)13-17(19)25/h6-9,12-13H,2-5,10-11H2,1H3,(H,27,29)(H2,26,28,30,33)