N-[[2-[2,4-bis(bromanyl)phenoxy]ethanoylamino]carbamothioyl]-2-(4-tert-butylphenoxy)ethanamide

Systemtic Name: N-[[2-[2,4-bis(bromanyl)phenoxy]ethanoylamino]carbamothioyl]-2-(4-tert-butylphenoxy)ethanamide Openeye Name: 2-(4-tert-butylphenoxy)-N-[[[2-(2,4-dibromophenoxy)acetyl]amino]carbamothioyl]acetamide CAS Name: 2-(4-tert-butylphenoxy)-N-[[[2-(2,4-dibromophenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(4-tert-butylphenoxy)-N-[[[2-(2,4-dibromophenoxy)acetyl]amino]carbamothioyl]acetamide Traditional Name: 2-(4-tert-butylphenoxy)-N-[[[2-(2,4-dibromophenoxy)acetyl]amino]thiocarbamoyl]acetamide Formula: C21H23Br2N3O4S MolecularWeight: 573.29802

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23Br2N3O4S/c1-21(2,3)13-4-7-15(8-5-13)29-11-18(27)24-20(31)26-25-19(28)12-30-17-9-6-14(22)10-16(17)23/h4-10H,11-12H2,1-3H3,(H,25,28)(H2,24,26,27,31)