(E)-2-cyano-3-[4-methoxy-3-(thiomorpholin-4-ylmethyl)phenyl]-N-phenethyl-prop-2-enamide

Systemtic Name: (E)-2-cyano-3-[4-methoxy-3-(thiomorpholin-4-ylmethyl)phenyl]-N-phenethyl-prop-2-enamide Openeye Name: (E)-2-cyano-3-[4-methoxy-3-(thiomorpholinomethyl)phenyl]-N-phenethyl-prop-2-enamide CAS Name: (E)-2-cyano-3-[4-methoxy-3-(thiomorpholin-4-ylmethyl)phenyl]-N-phenethyl-2-propenamide IUPAC Name: (E)-2-cyano-3-[4-methoxy-3-(thiomorpholin-4-ylmethyl)phenyl]-N-phenethylprop-2-enamide Traditional Name: (E)-2-cyano-3-[4-methoxy-3-(thiomorpholinomethyl)phenyl]-N-phenethyl-acrylamide Formula: C24H27N3O2S MolecularWeight: 421.55508

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=C(C#N)C(=O)NCCC2=CC=CC=C2)CN3CCSCC3

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C(\C#N)/C(=O)NCCC2=CC=CC=C2)CN3CCSCC3

InChI

InChI=1S/C24H27N3O2S/c1-29-23-8-7-20(16-22(23)18-27-11-13-30-14-12-27)15-21(17-25)24(28)26-10-9-19-5-3-2-4-6-19/h2-8,15-16H,9-14,18H2,1H3,(H,26,28)/b21-15+