5-bromanyl-N-[[2-(4-chloranyl-3-methyl-phenoxy)ethanoylamino]carbamothioyl]-2-(2-methylpropoxy)benzamide

Systemtic Name: 5-bromanyl-N-[[2-(4-chloranyl-3-methyl-phenoxy)ethanoylamino]carbamothioyl]-2-(2-methylpropoxy)benzamide Openeye Name: 5-bromo-N-[[[2-(4-chloro-3-methyl-phenoxy)acetyl]amino]carbamothioyl]-2-isobutoxy-benzamide CAS Name: 5-bromo-N-[[[2-(4-chloro-3-methylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-2-(2-methylpropoxy)benzamide IUPAC Name: 5-bromo-N-[[[2-(4-chloro-3-methylphenoxy)acetyl]amino]carbamothioyl]-2-(2-methylpropoxy)benzamide Traditional Name: 5-bromo-N-[[[2-(4-chloro-3-methyl-phenoxy)acetyl]amino]thiocarbamoyl]-2-isobutoxy-benzamide Formula: C21H23BrClN3O4S MolecularWeight: 528.84702

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23BrClN3O4S/c1-12(2)10-30-18-7-4-14(22)9-16(18)20(28)24-21(31)26-25-19(27)11-29-15-5-6-17(23)13(3)8-15/h4-9,12H,10-11H2,1-3H3,(H,25,27)(H2,24,26,28,31)