(E)-N-methyl-N-[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]-3-(4-phenylmethoxyphenyl)prop-2-enamide

Systemtic Name: (E)-N-methyl-N-[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]-3-(4-phenylmethoxyphenyl)prop-2-enamide Openeye Name: (E)-3-(4-benzyloxyphenyl)-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxo-ethyl]prop-2-enamide CAS Name: (E)-N-methyl-N-[2-[2-(methylthio)anilino]-2-oxoethyl]-3-(4-phenylmethoxyphenyl)-2-propenamide IUPAC Name: (E)-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]-3-(4-phenylmethoxyphenyl)prop-2-enamide Traditional Name: (E)-3-(4-benzoxyphenyl)-N-[2-keto-2-[2-(methylthio)anilino]ethyl]-N-methyl-acrylamide Formula: C26H26N2O3S MolecularWeight: 446.56124

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NC1=CC=CC=C1SC)C(=O)C=CC2=CC=C(C=C2)OCC3=CC=CC=C3

Isomeric SMILES

CN(CC(=O)NC1=CC=CC=C1SC)C(=O)/C=C/C2=CC=C(C=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C26H26N2O3S/c1-28(18-25(29)27-23-10-6-7-11-24(23)32-2)26(30)17-14-20-12-15-22(16-13-20)31-19-21-8-4-3-5-9-21/h3-17H,18-19H2,1-2H3,(H,27,29)/b17-14+