(E)-N-[[2-(2-bromanyl-4-tert-butyl-phenoxy)ethanoylamino]carbamothioyl]-3-naphthalen-1-yl-prop-2-enamide

Systemtic Name: (E)-N-[[2-(2-bromanyl-4-tert-butyl-phenoxy)ethanoylamino]carbamothioyl]-3-naphthalen-1-yl-prop-2-enamide Openeye Name: (E)-N-[[[2-(2-bromo-4-tert-butyl-phenoxy)acetyl]amino]carbamothioyl]-3-(1-naphthyl)prop-2-enamide CAS Name: (E)-N-[[[2-(2-bromo-4-tert-butylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-3-(1-naphthalenyl)-2-propenamide IUPAC Name: (E)-N-[[[2-(2-bromo-4-tert-butylphenoxy)acetyl]amino]carbamothioyl]-3-naphthalen-1-ylprop-2-enamide Traditional Name: (E)-N-[[[2-(2-bromo-4-tert-butyl-phenoxy)acetyl]amino]thiocarbamoyl]-3-(1-naphthyl)acrylamide Formula: C26H26BrN3O3S MolecularWeight: 540.47194

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)(C)C1=CC(=C(C=C1)OCC(=O)NNC(=S)NC(=O)/C=C/C2=CC=CC3=CC=CC=C32)Br

InChI

InChI=1S/C26H26BrN3O3S/c1-26(2,3)19-12-13-22(21(27)15-19)33-16-24(32)29-30-25(34)28-23(31)14-11-18-9-6-8-17-7-4-5-10-20(17)18/h4-15H,16H2,1-3H3,(H,29,32)(H2,28,30,31,34)/b14-11+