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

Systemtic Name: N-[[4-[2,4-bis(chloranyl)phenoxy]butanoylamino]carbamothioyl]-5-bromanyl-2-propan-2-yloxy-benzamide Openeye Name: 5-bromo-N-[[4-(2,4-dichlorophenoxy)butanoylamino]carbamothioyl]-2-isopropoxy-benzamide CAS Name: 5-bromo-N-[[[4-(2,4-dichlorophenoxy)-1-oxobutyl]hydrazo]-sulfanylidenemethyl]-2-propan-2-yloxybenzamide IUPAC Name: 5-bromo-N-[[4-(2,4-dichlorophenoxy)butanoylamino]carbamothioyl]-2-propan-2-yloxybenzamide Traditional Name: 5-bromo-N-[[4-(2,4-dichlorophenoxy)butanoylamino]thiocarbamoyl]-2-isopropoxy-benzamide Formula: C21H22BrCl2N3O4S MolecularWeight: 563.29208

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1)Br)C(=O)NC(=S)NNC(=O)CCCOC2=C(C=C(C=C2)Cl)Cl

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1)Br)C(=O)NC(=S)NNC(=O)CCCOC2=C(C=C(C=C2)Cl)Cl

InChI

InChI=1S/C21H22BrCl2N3O4S/c1-12(2)31-17-7-5-13(22)10-15(17)20(29)25-21(32)27-26-19(28)4-3-9-30-18-8-6-14(23)11-16(18)24/h5-8,10-12H,3-4,9H2,1-2H3,(H,26,28)(H2,25,27,29,32)