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

Systemtic Name: N-[[2-(2-bromanyl-4-tert-butyl-phenoxy)ethanoylamino]carbamothioyl]-4-(2-phenoxyethoxy)benzamide Openeye Name: N-[[[2-(2-bromo-4-tert-butyl-phenoxy)acetyl]amino]carbamothioyl]-4-(2-phenoxyethoxy)benzamide CAS Name: N-[[[2-(2-bromo-4-tert-butylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-4-(2-phenoxyethoxy)benzamide IUPAC Name: N-[[[2-(2-bromo-4-tert-butylphenoxy)acetyl]amino]carbamothioyl]-4-(2-phenoxyethoxy)benzamide Traditional Name: N-[[[2-(2-bromo-4-tert-butyl-phenoxy)acetyl]amino]thiocarbamoyl]-4-(2-phenoxyethoxy)benzamide Formula: C28H30BrN3O5S MolecularWeight: 600.5239

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C=C1)OCC(=O)NNC(=S)NC(=O)C2=CC=C(C=C2)OCCOC3=CC=CC=C3)Br

Isomeric SMILES

CC(C)(C)C1=CC(=C(C=C1)OCC(=O)NNC(=S)NC(=O)C2=CC=C(C=C2)OCCOC3=CC=CC=C3)Br

InChI

InChI=1S/C28H30BrN3O5S/c1-28(2,3)20-11-14-24(23(29)17-20)37-18-25(33)31-32-27(38)30-26(34)19-9-12-22(13-10-19)36-16-15-35-21-7-5-4-6-8-21/h4-14,17H,15-16,18H2,1-3H3,(H,31,33)(H2,30,32,34,38)