(E)-3-(4-ethoxyphenyl)-N-[[2-(2-propan-2-ylphenoxy)ethanoylamino]carbamothioyl]prop-2-enamide

Systemtic Name: (E)-3-(4-ethoxyphenyl)-N-[[2-(2-propan-2-ylphenoxy)ethanoylamino]carbamothioyl]prop-2-enamide Openeye Name: (E)-3-(4-ethoxyphenyl)-N-[[[2-(2-isopropylphenoxy)acetyl]amino]carbamothioyl]prop-2-enamide CAS Name: (E)-3-(4-ethoxyphenyl)-N-[[[1-oxo-2-(2-propan-2-ylphenoxy)ethyl]hydrazo]-sulfanylidenemethyl]-2-propenamide IUPAC Name: (E)-3-(4-ethoxyphenyl)-N-[[[2-(2-propan-2-ylphenoxy)acetyl]amino]carbamothioyl]prop-2-enamide Traditional Name: (E)-N-[[[2-(2-isopropylphenoxy)acetyl]amino]thiocarbamoyl]-3-p-phenetyl-acrylamide Formula: C23H27N3O4S MolecularWeight: 441.54318

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C=CC(=O)NC(=S)NNC(=O)COC2=CC=CC=C2C(C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)/C=C/C(=O)NC(=S)NNC(=O)COC2=CC=CC=C2C(C)C

InChI

InChI=1S/C23H27N3O4S/c1-4-29-18-12-9-17(10-13-18)11-14-21(27)24-23(31)26-25-22(28)15-30-20-8-6-5-7-19(20)16(2)3/h5-14,16H,4,15H2,1-3H3,(H,25,28)(H2,24,26,27,31)/b14-11+