3-[(4-methoxyphenyl)-[2-oxidanylidene-2-[(2-prop-2-enylsulfanylphenyl)amino]ethyl]amino]propanamide

Systemtic Name: 3-[(4-methoxyphenyl)-[2-oxidanylidene-2-[(2-prop-2-enylsulfanylphenyl)amino]ethyl]amino]propanamide Openeye Name: 3-(N-[2-(2-allylsulfanylanilino)-2-oxo-ethyl]-4-methoxy-anilino)propanamide CAS Name: 3-(4-methoxy-N-[2-oxo-2-[2-(prop-2-enylthio)anilino]ethyl]anilino)propanamide IUPAC Name: 3-(4-methoxy-N-[2-oxo-2-(2-prop-2-enylsulfanylanilino)ethyl]anilino)propanamide Traditional Name: 3-(N-[2-[2-(allylthio)anilino]-2-keto-ethyl]-4-methoxy-anilino)propionamide Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N(CCC(=O)N)CC(=O)NC2=CC=CC=C2SCC=C

Isomeric SMILES

COC1=CC=C(C=C1)N(CCC(=O)N)CC(=O)NC2=CC=CC=C2SCC=C

InChI

InChI=1S/C21H25N3O3S/c1-3-14-28-19-7-5-4-6-18(19)23-21(26)15-24(13-12-20(22)25)16-8-10-17(27-2)11-9-16/h3-11H,1,12-15H2,2H3,(H2,22,25)(H,23,26)