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

Systemtic Name: N-[[2-(2-bromanyl-4-propan-2-yl-phenoxy)ethanoylamino]carbamothioyl]-4-tert-butyl-benzamide Openeye Name: N-[[[2-(2-bromo-4-isopropyl-phenoxy)acetyl]amino]carbamothioyl]-4-tert-butyl-benzamide CAS Name: N-[[[2-(2-bromo-4-propan-2-ylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-4-tert-butylbenzamide IUPAC Name: N-[[[2-(2-bromo-4-propan-2-ylphenoxy)acetyl]amino]carbamothioyl]-4-tert-butylbenzamide Traditional Name: N-[[[2-(2-bromo-4-isopropyl-phenoxy)acetyl]amino]thiocarbamoyl]-4-tert-butyl-benzamide Formula: C23H28BrN3O3S MolecularWeight: 506.45572

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28BrN3O3S/c1-14(2)16-8-11-19(18(24)12-16)30-13-20(28)26-27-22(31)25-21(29)15-6-9-17(10-7-15)23(3,4)5/h6-12,14H,13H2,1-5H3,(H,26,28)(H2,25,27,29,31)