3-bromanyl-N-[[2-(2-bromanyl-4-tert-butyl-phenoxy)ethanoylamino]carbamothioyl]-4-hexoxy-benzamide

Systemtic Name: 3-bromanyl-N-[[2-(2-bromanyl-4-tert-butyl-phenoxy)ethanoylamino]carbamothioyl]-4-hexoxy-benzamide Openeye Name: 3-bromo-N-[[[2-(2-bromo-4-tert-butyl-phenoxy)acetyl]amino]carbamothioyl]-4-hexoxy-benzamide CAS Name: 3-bromo-N-[[[2-(2-bromo-4-tert-butylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-4-hexoxybenzamide IUPAC Name: 3-bromo-N-[[[2-(2-bromo-4-tert-butylphenoxy)acetyl]amino]carbamothioyl]-4-hexoxybenzamide Traditional Name: 3-bromo-N-[[[2-(2-bromo-4-tert-butyl-phenoxy)acetyl]amino]thiocarbamoyl]-4-hexoxy-benzamide Formula: C26H33Br2N3O4S MolecularWeight: 643.43092

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)COC2=C(C=C(C=C2)C(C)(C)C)Br)Br

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)COC2=C(C=C(C=C2)C(C)(C)C)Br)Br

InChI

InChI=1S/C26H33Br2N3O4S/c1-5-6-7-8-13-34-21-11-9-17(14-19(21)27)24(33)29-25(36)31-30-23(32)16-35-22-12-10-18(15-20(22)28)26(2,3)4/h9-12,14-15H,5-8,13,16H2,1-4H3,(H,30,32)(H2,29,31,33,36)