N-[[2-(4-bromanyl-3-methyl-phenoxy)ethanoylamino]carbamothioyl]-2-(4-tert-butylphenoxy)ethanamide

Systemtic Name: N-[[2-(4-bromanyl-3-methyl-phenoxy)ethanoylamino]carbamothioyl]-2-(4-tert-butylphenoxy)ethanamide Openeye Name: N-[[[2-(4-bromo-3-methyl-phenoxy)acetyl]amino]carbamothioyl]-2-(4-tert-butylphenoxy)acetamide CAS Name: N-[[[2-(4-bromo-3-methylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-2-(4-tert-butylphenoxy)acetamide IUPAC Name: N-[[[2-(4-bromo-3-methylphenoxy)acetyl]amino]carbamothioyl]-2-(4-tert-butylphenoxy)acetamide Traditional Name: N-[[[2-(4-bromo-3-methyl-phenoxy)acetyl]amino]thiocarbamoyl]-2-(4-tert-butylphenoxy)acetamide Formula: C22H26BrN3O4S MolecularWeight: 508.42854

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC(=O)NNC(=S)NC(=O)COC2=CC=C(C=C2)C(C)(C)C)Br

Isomeric SMILES

CC1=C(C=CC(=C1)OCC(=O)NNC(=S)NC(=O)COC2=CC=C(C=C2)C(C)(C)C)Br

InChI

InChI=1S/C22H26BrN3O4S/c1-14-11-17(9-10-18(14)23)30-13-20(28)25-26-21(31)24-19(27)12-29-16-7-5-15(6-8-16)22(2,3)4/h5-11H,12-13H2,1-4H3,(H,25,28)(H2,24,26,27,31)