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

Systemtic Name: 3-bromanyl-4-tert-butyl-N-[[2-(2-phenylphenoxy)ethanoylamino]carbamothioyl]benzamide Openeye Name: 3-bromo-4-tert-butyl-N-[[[2-(2-phenylphenoxy)acetyl]amino]carbamothioyl]benzamide CAS Name: 3-bromo-4-tert-butyl-N-[[[1-oxo-2-(2-phenylphenoxy)ethyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-tert-butyl-N-[[[2-(2-phenylphenoxy)acetyl]amino]carbamothioyl]benzamide Traditional Name: 3-bromo-4-tert-butyl-N-[[[2-(2-phenylphenoxy)acetyl]amino]thiocarbamoyl]benzamide Formula: C26H26BrN3O3S MolecularWeight: 540.47194

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)COC2=CC=CC=C2C3=CC=CC=C3)Br

Isomeric SMILES

CC(C)(C)C1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)COC2=CC=CC=C2C3=CC=CC=C3)Br

InChI

InChI=1S/C26H26BrN3O3S/c1-26(2,3)20-14-13-18(15-21(20)27)24(32)28-25(34)30-29-23(31)16-33-22-12-8-7-11-19(22)17-9-5-4-6-10-17/h4-15H,16H2,1-3H3,(H,29,31)(H2,28,30,32,34)