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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)COC2=C(C=C(C=C2)Cl)Cl)Br

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)COC2=C(C=C(C=C2)Cl)Cl)Br

InChI

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