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

Systemtic Name: (E)-2-cyano-N-(2-ethylphenyl)-3-[4-methoxy-3-(thiomorpholin-4-ium-4-ylmethyl)phenyl]prop-2-enamide Openeye Name: (E)-2-cyano-N-(2-ethylphenyl)-3-[4-methoxy-3-(thiomorpholin-4-ium-4-ylmethyl)phenyl]prop-2-enamide CAS Name: (E)-2-cyano-N-(2-ethylphenyl)-3-[4-methoxy-3-(4-thiomorpholin-4-iumylmethyl)phenyl]-2-propenamide IUPAC Name: (E)-2-cyano-N-(2-ethylphenyl)-3-[4-methoxy-3-(thiomorpholin-4-ium-4-ylmethyl)phenyl]prop-2-enamide Traditional Name: (E)-2-cyano-N-(2-ethylphenyl)-3-[4-methoxy-3-(thiomorpholin-4-ium-4-ylmethyl)phenyl]acrylamide Formula: C24H28N3O2S+ MolecularWeight: 422.56302

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)C(=CC2=CC(=C(C=C2)OC)C[NH+]3CCSCC3)C#N

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)/C(=C/C2=CC(=C(C=C2)OC)C[NH+]3CCSCC3)/C#N

InChI

InChI=1S/C24H27N3O2S/c1-3-19-6-4-5-7-22(19)26-24(28)20(16-25)14-18-8-9-23(29-2)21(15-18)17-27-10-12-30-13-11-27/h4-9,14-15H,3,10-13,17H2,1-2H3,(H,26,28)/p+1/b20-14+