(E)-N-[[2-(2-bromanyl-4-tert-butyl-phenoxy)ethanoylamino]carbamothioyl]-3-(4-methoxyphenyl)prop-2-enamide

Systemtic Name: (E)-N-[[2-(2-bromanyl-4-tert-butyl-phenoxy)ethanoylamino]carbamothioyl]-3-(4-methoxyphenyl)prop-2-enamide Openeye Name: (E)-N-[[[2-(2-bromo-4-tert-butyl-phenoxy)acetyl]amino]carbamothioyl]-3-(4-methoxyphenyl)prop-2-enamide CAS Name: (E)-N-[[[2-(2-bromo-4-tert-butylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-3-(4-methoxyphenyl)-2-propenamide IUPAC Name: (E)-N-[[[2-(2-bromo-4-tert-butylphenoxy)acetyl]amino]carbamothioyl]-3-(4-methoxyphenyl)prop-2-enamide Traditional Name: (E)-N-[[[2-(2-bromo-4-tert-butyl-phenoxy)acetyl]amino]thiocarbamoyl]-3-(4-methoxyphenyl)acrylamide Formula: C23H26BrN3O4S MolecularWeight: 520.43924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C=C1)OCC(=O)NNC(=S)NC(=O)C=CC2=CC=C(C=C2)OC)Br

Isomeric SMILES

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

InChI

InChI=1S/C23H26BrN3O4S/c1-23(2,3)16-8-11-19(18(24)13-16)31-14-21(29)26-27-22(32)25-20(28)12-7-15-5-9-17(30-4)10-6-15/h5-13H,14H2,1-4H3,(H,26,29)(H2,25,27,28,32)/b12-7+