3-bromanyl-4-butoxy-N-[[2-(4-chloranyl-3,5-dimethyl-phenoxy)ethanoylamino]carbamothioyl]benzamide

Systemtic Name: 3-bromanyl-4-butoxy-N-[[2-(4-chloranyl-3,5-dimethyl-phenoxy)ethanoylamino]carbamothioyl]benzamide Openeye Name: 3-bromo-4-butoxy-N-[[[2-(4-chloro-3,5-dimethyl-phenoxy)acetyl]amino]carbamothioyl]benzamide CAS Name: 3-bromo-4-butoxy-N-[[[2-(4-chloro-3,5-dimethylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-butoxy-N-[[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]carbamothioyl]benzamide Traditional Name: 3-bromo-4-butoxy-N-[[[2-(4-chloro-3,5-dimethyl-phenoxy)acetyl]amino]thiocarbamoyl]benzamide Formula: C22H25BrClN3O4S MolecularWeight: 542.8736

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25BrClN3O4S/c1-4-5-8-30-18-7-6-15(11-17(18)23)21(29)25-22(32)27-26-19(28)12-31-16-9-13(2)20(24)14(3)10-16/h6-7,9-11H,4-5,8,12H2,1-3H3,(H,26,28)(H2,25,27,29,32)