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

Systemtic Name: 3-[[2-oxidanylidene-2-[(2-prop-2-enylsulfanylphenyl)amino]ethyl]-(phenylmethyl)amino]propanamide Openeye Name: 3-[[2-(2-allylsulfanylanilino)-2-oxo-ethyl]-benzyl-amino]propanamide CAS Name: 3-[[2-oxo-2-[2-(prop-2-enylthio)anilino]ethyl]-(phenylmethyl)amino]propanamide IUPAC Name: 3-[benzyl-[2-oxo-2-(2-prop-2-enylsulfanylanilino)ethyl]amino]propanamide Traditional Name: 3-[[2-[2-(allylthio)anilino]-2-keto-ethyl]-benzyl-amino]propionamide Formula: C21H25N3O2S MolecularWeight: 383.5071

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1=CC=CC=C1NC(=O)CN(CCC(=O)N)CC2=CC=CC=C2

Isomeric SMILES

C=CCSC1=CC=CC=C1NC(=O)CN(CCC(=O)N)CC2=CC=CC=C2

InChI

InChI=1S/C21H25N3O2S/c1-2-14-27-19-11-7-6-10-18(19)23-21(26)16-24(13-12-20(22)25)15-17-8-4-3-5-9-17/h2-11H,1,12-16H2,(H2,22,25)(H,23,26)