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

Systemtic Name: N-[[4-[2,4-bis(chloranyl)phenoxy]butanoylamino]carbamothioyl]-3-bromanyl-4-phenethyloxy-benzamide Openeye Name: 3-bromo-N-[[4-(2,4-dichlorophenoxy)butanoylamino]carbamothioyl]-4-phenethyloxy-benzamide CAS Name: 3-bromo-N-[[[4-(2,4-dichlorophenoxy)-1-oxobutyl]hydrazo]-sulfanylidenemethyl]-4-phenethyloxybenzamide IUPAC Name: 3-bromo-N-[[4-(2,4-dichlorophenoxy)butanoylamino]carbamothioyl]-4-phenethyloxybenzamide Traditional Name: 3-bromo-N-[[4-(2,4-dichlorophenoxy)butanoylamino]thiocarbamoyl]-4-phenethyloxy-benzamide Formula: C26H24BrCl2N3O4S MolecularWeight: 625.36146

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCOC2=C(C=C(C=C2)C(=O)NC(=S)NNC(=O)CCCOC3=C(C=C(C=C3)Cl)Cl)Br

Isomeric SMILES

C1=CC=C(C=C1)CCOC2=C(C=C(C=C2)C(=O)NC(=S)NNC(=O)CCCOC3=C(C=C(C=C3)Cl)Cl)Br

InChI

InChI=1S/C26H24BrCl2N3O4S/c27-20-15-18(8-10-22(20)36-14-12-17-5-2-1-3-6-17)25(34)30-26(37)32-31-24(33)7-4-13-35-23-11-9-19(28)16-21(23)29/h1-3,5-6,8-11,15-16H,4,7,12-14H2,(H,31,33)(H2,30,32,34,37)