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

Systemtic Name: 4-[2,4-bis(chloranyl)phenoxy]-N-[[2-(4-bromanyl-3-methyl-phenoxy)ethanoylamino]carbamothioyl]butanamide Openeye Name: N-[[[2-(4-bromo-3-methyl-phenoxy)acetyl]amino]carbamothioyl]-4-(2,4-dichlorophenoxy)butanamide CAS Name: N-[[[2-(4-bromo-3-methylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-4-(2,4-dichlorophenoxy)butanamide IUPAC Name: N-[[[2-(4-bromo-3-methylphenoxy)acetyl]amino]carbamothioyl]-4-(2,4-dichlorophenoxy)butanamide Traditional Name: N-[[[2-(4-bromo-3-methyl-phenoxy)acetyl]amino]thiocarbamoyl]-4-(2,4-dichlorophenoxy)butyramide Formula: C20H20BrCl2N3O4S MolecularWeight: 549.2655

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20BrCl2N3O4S/c1-12-9-14(5-6-15(12)21)30-11-19(28)25-26-20(31)24-18(27)3-2-8-29-17-7-4-13(22)10-16(17)23/h4-7,9-10H,2-3,8,11H2,1H3,(H,25,28)(H2,24,26,27,31)