(E)-N-[[2-(2-butan-2-ylphenoxy)ethanoylamino]carbamothioyl]-3-phenyl-prop-2-enamide

Systemtic Name: (E)-N-[[2-(2-butan-2-ylphenoxy)ethanoylamino]carbamothioyl]-3-phenyl-prop-2-enamide Openeye Name: (E)-3-phenyl-N-[[[2-(2-sec-butylphenoxy)acetyl]amino]carbamothioyl]prop-2-enamide CAS Name: (E)-N-[[[2-(2-butan-2-ylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-3-phenyl-2-propenamide IUPAC Name: (E)-N-[[[2-(2-butan-2-ylphenoxy)acetyl]amino]carbamothioyl]-3-phenylprop-2-enamide Traditional Name: (E)-3-phenyl-N-[[[2-(2-sec-butylphenoxy)acetyl]amino]thiocarbamoyl]acrylamide Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=CC=C1OCC(=O)NNC(=S)NC(=O)C=CC2=CC=CC=C2

Isomeric SMILES

CCC(C)C1=CC=CC=C1OCC(=O)NNC(=S)NC(=O)/C=C/C2=CC=CC=C2

InChI

InChI=1S/C22H25N3O3S/c1-3-16(2)18-11-7-8-12-19(18)28-15-21(27)24-25-22(29)23-20(26)14-13-17-9-5-4-6-10-17/h4-14,16H,3,15H2,1-2H3,(H,24,27)(H2,23,25,26,29)/b14-13+