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

Systemtic Name: (E)-2-cyano-3-[4-methoxy-3-(thiomorpholin-4-ylmethyl)phenyl]-N-(phenylmethyl)prop-2-enamide Openeye Name: (E)-N-benzyl-2-cyano-3-[4-methoxy-3-(thiomorpholinomethyl)phenyl]prop-2-enamide CAS Name: (E)-2-cyano-3-[4-methoxy-3-(thiomorpholin-4-ylmethyl)phenyl]-N-(phenylmethyl)-2-propenamide IUPAC Name: (E)-N-benzyl-2-cyano-3-[4-methoxy-3-(thiomorpholin-4-ylmethyl)phenyl]prop-2-enamide Traditional Name: (E)-N-benzyl-2-cyano-3-[4-methoxy-3-(thiomorpholinomethyl)phenyl]acrylamide Formula: C23H25N3O2S MolecularWeight: 407.5285

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=C(C#N)C(=O)NCC2=CC=CC=C2)CN3CCSCC3

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C(\C#N)/C(=O)NCC2=CC=CC=C2)CN3CCSCC3

InChI

InChI=1S/C23H25N3O2S/c1-28-22-8-7-19(14-21(22)17-26-9-11-29-12-10-26)13-20(15-24)23(27)25-16-18-5-3-2-4-6-18/h2-8,13-14H,9-12,16-17H2,1H3,(H,25,27)/b20-13+