(E)-3-(4-ethoxyphenyl)-N-[(3-phenylpropanoylamino)carbamothioyl]prop-2-enamide

Systemtic Name: (E)-3-(4-ethoxyphenyl)-N-[(3-phenylpropanoylamino)carbamothioyl]prop-2-enamide Openeye Name: (E)-3-(4-ethoxyphenyl)-N-[(3-phenylpropanoylamino)carbamothioyl]prop-2-enamide CAS Name: (E)-3-(4-ethoxyphenyl)-N-[[(1-oxo-3-phenylpropyl)hydrazo]-sulfanylidenemethyl]-2-propenamide IUPAC Name: (E)-3-(4-ethoxyphenyl)-N-[(3-phenylpropanoylamino)carbamothioyl]prop-2-enamide Traditional Name: (E)-N-[(hydrocinnamoylamino)thiocarbamoyl]-3-p-phenetyl-acrylamide Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C=CC(=O)NC(=S)NNC(=O)CCC2=CC=CC=C2

Isomeric SMILES

CCOC1=CC=C(C=C1)/C=C/C(=O)NC(=S)NNC(=O)CCC2=CC=CC=C2

InChI

InChI=1S/C21H23N3O3S/c1-2-27-18-12-8-17(9-13-18)10-14-19(25)22-21(28)24-23-20(26)15-11-16-6-4-3-5-7-16/h3-10,12-14H,2,11,15H2,1H3,(H,23,26)(H2,22,24,25,28)/b14-10+