N-[[2-(2-bromanyl-4-tert-butyl-phenoxy)ethanoylamino]carbamothioyl]-3-(2-chlorophenyl)propanamide

Systemtic Name: N-[[2-(2-bromanyl-4-tert-butyl-phenoxy)ethanoylamino]carbamothioyl]-3-(2-chlorophenyl)propanamide Openeye Name: N-[[[2-(2-bromo-4-tert-butyl-phenoxy)acetyl]amino]carbamothioyl]-3-(2-chlorophenyl)propanamide CAS Name: N-[[[2-(2-bromo-4-tert-butylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-3-(2-chlorophenyl)propanamide IUPAC Name: N-[[[2-(2-bromo-4-tert-butylphenoxy)acetyl]amino]carbamothioyl]-3-(2-chlorophenyl)propanamide Traditional Name: N-[[[2-(2-bromo-4-tert-butyl-phenoxy)acetyl]amino]thiocarbamoyl]-3-(2-chlorophenyl)propionamide Formula: C22H25BrClN3O3S MolecularWeight: 526.8742

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C=C1)OCC(=O)NNC(=S)NC(=O)CCC2=CC=CC=C2Cl)Br

Isomeric SMILES

CC(C)(C)C1=CC(=C(C=C1)OCC(=O)NNC(=S)NC(=O)CCC2=CC=CC=C2Cl)Br

InChI

InChI=1S/C22H25BrClN3O3S/c1-22(2,3)15-9-10-18(16(23)12-15)30-13-20(29)26-27-21(31)25-19(28)11-8-14-6-4-5-7-17(14)24/h4-7,9-10,12H,8,11,13H2,1-3H3,(H,26,29)(H2,25,27,28,31)