(E)-N-[[2-(2,6-dimethylphenoxy)ethanoylamino]carbamothioyl]-3-phenyl-prop-2-enamide

Systemtic Name: (E)-N-[[2-(2,6-dimethylphenoxy)ethanoylamino]carbamothioyl]-3-phenyl-prop-2-enamide Openeye Name: (E)-N-[[[2-(2,6-dimethylphenoxy)acetyl]amino]carbamothioyl]-3-phenyl-prop-2-enamide CAS Name: (E)-N-[[[2-(2,6-dimethylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-3-phenyl-2-propenamide IUPAC Name: (E)-N-[[[2-(2,6-dimethylphenoxy)acetyl]amino]carbamothioyl]-3-phenylprop-2-enamide Traditional Name: (E)-N-[[[2-(2,6-dimethylphenoxy)acetyl]amino]thiocarbamoyl]-3-phenyl-acrylamide Formula: C20H21N3O3S MolecularWeight: 383.46404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)OCC(=O)NNC(=S)NC(=O)C=CC2=CC=CC=C2

Isomeric SMILES

CC1=C(C(=CC=C1)C)OCC(=O)NNC(=S)NC(=O)/C=C/C2=CC=CC=C2

InChI

InChI=1S/C20H21N3O3S/c1-14-7-6-8-15(2)19(14)26-13-18(25)22-23-20(27)21-17(24)12-11-16-9-4-3-5-10-16/h3-12H,13H2,1-2H3,(H,22,25)(H2,21,23,24,27)/b12-11+