(E)-3-(3,4-dimethoxyphenyl)-N-[(3-morpholin-4-ylcarbonylphenyl)carbamothioyl]prop-2-enamide

Systemtic Name: (E)-3-(3,4-dimethoxyphenyl)-N-[(3-morpholin-4-ylcarbonylphenyl)carbamothioyl]prop-2-enamide Openeye Name: (E)-3-(3,4-dimethoxyphenyl)-N-[[3-(morpholine-4-carbonyl)phenyl]carbamothioyl]prop-2-enamide CAS Name: (E)-3-(3,4-dimethoxyphenyl)-N-[[3-[4-morpholinyl(oxo)methyl]anilino]-sulfanylidenemethyl]-2-propenamide IUPAC Name: (E)-3-(3,4-dimethoxyphenyl)-N-[[3-(morpholine-4-carbonyl)phenyl]carbamothioyl]prop-2-enamide Traditional Name: (E)-3-(3,4-dimethoxyphenyl)-N-[[3-(morpholine-4-carbonyl)phenyl]thiocarbamoyl]acrylamide Formula: C23H25N3O5S MolecularWeight: 455.5267

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC(=O)NC(=S)NC2=CC=CC(=C2)C(=O)N3CCOCC3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)N3CCOCC3)OC

InChI

InChI=1S/C23H25N3O5S/c1-29-19-8-6-16(14-20(19)30-2)7-9-21(27)25-23(32)24-18-5-3-4-17(15-18)22(28)26-10-12-31-13-11-26/h3-9,14-15H,10-13H2,1-2H3,(H2,24,25,27,32)/b9-7+