N-[[2-(2-bromanyl-4-tert-butyl-phenoxy)ethanoylamino]carbamothioyl]-2-naphthalen-1-yl-ethanamide

Systemtic Name: N-[[2-(2-bromanyl-4-tert-butyl-phenoxy)ethanoylamino]carbamothioyl]-2-naphthalen-1-yl-ethanamide Openeye Name: N-[[[2-(2-bromo-4-tert-butyl-phenoxy)acetyl]amino]carbamothioyl]-2-(1-naphthyl)acetamide CAS Name: N-[[[2-(2-bromo-4-tert-butylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-2-(1-naphthalenyl)acetamide IUPAC Name: N-[[[2-(2-bromo-4-tert-butylphenoxy)acetyl]amino]carbamothioyl]-2-naphthalen-1-ylacetamide Traditional Name: N-[[[2-(2-bromo-4-tert-butyl-phenoxy)acetyl]amino]thiocarbamoyl]-2-(1-naphthyl)acetamide Formula: C25H26BrN3O3S MolecularWeight: 528.46124

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C=C1)OCC(=O)NNC(=S)NC(=O)CC2=CC=CC3=CC=CC=C32)Br

Isomeric SMILES

CC(C)(C)C1=CC(=C(C=C1)OCC(=O)NNC(=S)NC(=O)CC2=CC=CC3=CC=CC=C32)Br

InChI

InChI=1S/C25H26BrN3O3S/c1-25(2,3)18-11-12-21(20(26)14-18)32-15-23(31)28-29-24(33)27-22(30)13-17-9-6-8-16-7-4-5-10-19(16)17/h4-12,14H,13,15H2,1-3H3,(H,28,31)(H2,27,29,30,33)