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

Systemtic Name: (E)-N-[[2-(2-bromanyl-4-tert-butyl-phenoxy)ethanoylamino]carbamothioyl]-3-(furan-2-yl)prop-2-enamide Openeye Name: (E)-N-[[[2-(2-bromo-4-tert-butyl-phenoxy)acetyl]amino]carbamothioyl]-3-(2-furyl)prop-2-enamide CAS Name: (E)-N-[[[2-(2-bromo-4-tert-butylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-3-(2-furanyl)-2-propenamide IUPAC Name: (E)-N-[[[2-(2-bromo-4-tert-butylphenoxy)acetyl]amino]carbamothioyl]-3-(furan-2-yl)prop-2-enamide Traditional Name: (E)-N-[[[2-(2-bromo-4-tert-butyl-phenoxy)acetyl]amino]thiocarbamoyl]-3-(2-furyl)acrylamide Formula: C20H22BrN3O4S MolecularWeight: 480.37538

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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=CO2)Br

Isomeric SMILES

CC(C)(C)C1=CC(=C(C=C1)OCC(=O)NNC(=S)NC(=O)/C=C/C2=CC=CO2)Br

InChI

InChI=1S/C20H22BrN3O4S/c1-20(2,3)13-6-8-16(15(21)11-13)28-12-18(26)23-24-19(29)22-17(25)9-7-14-5-4-10-27-14/h4-11H,12H2,1-3H3,(H,23,26)(H2,22,24,25,29)/b9-7+