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

Systemtic Name: (E)-3-(4-ethoxyphenyl)-N-[[2-methyl-3-(propanoylamino)phenyl]carbamothioyl]prop-2-enamide Openeye Name: (E)-3-(4-ethoxyphenyl)-N-[[2-methyl-3-(propanoylamino)phenyl]carbamothioyl]prop-2-enamide CAS Name: (E)-3-(4-ethoxyphenyl)-N-[[2-methyl-3-(1-oxopropylamino)anilino]-sulfanylidenemethyl]-2-propenamide IUPAC Name: (E)-3-(4-ethoxyphenyl)-N-[[2-methyl-3-(propanoylamino)phenyl]carbamothioyl]prop-2-enamide Traditional Name: (E)-N-[(2-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)23-18-7-6-8-19(15(18)3)24-22(29)25-21(27)14-11-16-9-12-17(13-10-16)28-5-2/h6-14H,4-5H2,1-3H3,(H,23,26)(H2,24,25,27,29)/b14-11+