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

Systemtic Name: N-[[2-(2-bromanyl-4-tert-butyl-phenoxy)ethanoylamino]carbamothioyl]-4-hexoxy-benzamide Openeye Name: N-[[[2-(2-bromo-4-tert-butyl-phenoxy)acetyl]amino]carbamothioyl]-4-hexoxy-benzamide CAS Name: N-[[[2-(2-bromo-4-tert-butylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-4-hexoxybenzamide IUPAC Name: N-[[[2-(2-bromo-4-tert-butylphenoxy)acetyl]amino]carbamothioyl]-4-hexoxybenzamide Traditional Name: N-[[[2-(2-bromo-4-tert-butyl-phenoxy)acetyl]amino]thiocarbamoyl]-4-hexoxy-benzamide Formula: C26H34BrN3O4S MolecularWeight: 564.53486

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H34BrN3O4S/c1-5-6-7-8-15-33-20-12-9-18(10-13-20)24(32)28-25(35)30-29-23(31)17-34-22-14-11-19(16-21(22)27)26(2,3)4/h9-14,16H,5-8,15,17H2,1-4H3,(H,29,31)(H2,28,30,32,35)