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

Systemtic Name: N-[[4-[2,4-bis(chloranyl)phenoxy]butanoylamino]carbamothioyl]-3-bromanyl-4-methyl-benzamide Openeye Name: 3-bromo-N-[[4-(2,4-dichlorophenoxy)butanoylamino]carbamothioyl]-4-methyl-benzamide CAS Name: 3-bromo-N-[[[4-(2,4-dichlorophenoxy)-1-oxobutyl]hydrazo]-sulfanylidenemethyl]-4-methylbenzamide IUPAC Name: 3-bromo-N-[[4-(2,4-dichlorophenoxy)butanoylamino]carbamothioyl]-4-methylbenzamide Traditional Name: 3-bromo-N-[[4-(2,4-dichlorophenoxy)butanoylamino]thiocarbamoyl]-4-methyl-benzamide Formula: C19H18BrCl2N3O3S MolecularWeight: 519.23952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)CCCOC2=C(C=C(C=C2)Cl)Cl)Br

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)CCCOC2=C(C=C(C=C2)Cl)Cl)Br

InChI

InChI=1S/C19H18BrCl2N3O3S/c1-11-4-5-12(9-14(11)20)18(27)23-19(29)25-24-17(26)3-2-8-28-16-7-6-13(21)10-15(16)22/h4-7,9-10H,2-3,8H2,1H3,(H,24,26)(H2,23,25,27,29)