(E)-3-(4-ethoxyphenyl)-N-[[4-methyl-3-(propanoylamino)phenyl]carbamothioyl]prop-2-enamide

Systemtic Name: (E)-3-(4-ethoxyphenyl)-N-[[4-methyl-3-(propanoylamino)phenyl]carbamothioyl]prop-2-enamide Openeye Name: (E)-3-(4-ethoxyphenyl)-N-[[4-methyl-3-(propanoylamino)phenyl]carbamothioyl]prop-2-enamide CAS Name: (E)-3-(4-ethoxyphenyl)-N-[[4-methyl-3-(1-oxopropylamino)anilino]-sulfanylidenemethyl]-2-propenamide IUPAC Name: (E)-3-(4-ethoxyphenyl)-N-[[4-methyl-3-(propanoylamino)phenyl]carbamothioyl]prop-2-enamide Traditional Name: (E)-N-[(4-methyl-3-propionamido-phenyl)thiocarbamoyl]-3-p-phenetyl-acrylamide Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=C(C=CC(=C1)NC(=S)NC(=O)C=CC2=CC=C(C=C2)OCC)C

Isomeric SMILES

CCC(=O)NC1=C(C=CC(=C1)NC(=S)NC(=O)/C=C/C2=CC=C(C=C2)OCC)C

InChI

InChI=1S/C22H25N3O3S/c1-4-20(26)24-19-14-17(10-6-15(19)3)23-22(29)25-21(27)13-9-16-7-11-18(12-8-16)28-5-2/h6-14H,4-5H2,1-3H3,(H,24,26)(H2,23,25,27,29)/b13-9+