4-[2,4-bis(chloranyl)phenoxy]-N-[[(3-bromanyl-4-methyl-phenyl)carbonylamino]carbamothioyl]butanamide

Systemtic Name: 4-[2,4-bis(chloranyl)phenoxy]-N-[[(3-bromanyl-4-methyl-phenyl)carbonylamino]carbamothioyl]butanamide Openeye Name: N-[[(3-bromo-4-methyl-benzoyl)amino]carbamothioyl]-4-(2,4-dichlorophenoxy)butanamide CAS Name: N-[[[(3-bromo-4-methylphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-4-(2,4-dichlorophenoxy)butanamide IUPAC Name: N-[[(3-bromo-4-methylbenzoyl)amino]carbamothioyl]-4-(2,4-dichlorophenoxy)butanamide Traditional Name: N-[[(3-bromo-4-methyl-benzoyl)amino]thiocarbamoyl]-4-(2,4-dichlorophenoxy)butyramide Formula: C19H18BrCl2N3O3S MolecularWeight: 519.23952

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NNC(=S)NC(=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)24-25-19(29)23-17(26)3-2-8-28-16-7-6-13(21)10-15(16)22/h4-7,9-10H,2-3,8H2,1H3,(H,24,27)(H2,23,25,26,29)