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

Systemtic Name: N-[[4-[2,4-bis(chloranyl)phenoxy]butanoylamino]carbamothioyl]-3-bromanyl-4-hexoxy-benzamide Openeye Name: 3-bromo-N-[[4-(2,4-dichlorophenoxy)butanoylamino]carbamothioyl]-4-hexoxy-benzamide CAS Name: 3-bromo-N-[[[4-(2,4-dichlorophenoxy)-1-oxobutyl]hydrazo]-sulfanylidenemethyl]-4-hexoxybenzamide IUPAC Name: 3-bromo-N-[[4-(2,4-dichlorophenoxy)butanoylamino]carbamothioyl]-4-hexoxybenzamide Traditional Name: 3-bromo-N-[[4-(2,4-dichlorophenoxy)butanoylamino]thiocarbamoyl]-4-hexoxy-benzamide Formula: C24H28BrCl2N3O4S MolecularWeight: 605.37182

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)CCCOC2=C(C=C(C=C2)Cl)Cl)Br

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)CCCOC2=C(C=C(C=C2)Cl)Cl)Br

InChI

InChI=1S/C24H28BrCl2N3O4S/c1-2-3-4-5-12-33-20-10-8-16(14-18(20)25)23(32)28-24(35)30-29-22(31)7-6-13-34-21-11-9-17(26)15-19(21)27/h8-11,14-15H,2-7,12-13H2,1H3,(H,29,31)(H2,28,30,32,35)