2,4-bis(fluoranyl)-N-[4-oxidanylidene-4-[(2-prop-2-enylsulfanylphenyl)amino]butyl]benzamide

Systemtic Name: 2,4-bis(fluoranyl)-N-[4-oxidanylidene-4-[(2-prop-2-enylsulfanylphenyl)amino]butyl]benzamide Openeye Name: N-[4-(2-allylsulfanylanilino)-4-oxo-butyl]-2,4-difluoro-benzamide CAS Name: 2,4-difluoro-N-[4-oxo-4-[2-(prop-2-enylthio)anilino]butyl]benzamide IUPAC Name: 2,4-difluoro-N-[4-oxo-4-(2-prop-2-enylsulfanylanilino)butyl]benzamide Traditional Name: N-[4-[2-(allylthio)anilino]-4-keto-butyl]-2,4-difluoro-benzamide Formula: C20H20F2N2O2S MolecularWeight: 390.446806

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1=CC=CC=C1NC(=O)CCCNC(=O)C2=C(C=C(C=C2)F)F

Isomeric SMILES

C=CCSC1=CC=CC=C1NC(=O)CCCNC(=O)C2=C(C=C(C=C2)F)F

InChI

InChI=1S/C20H20F2N2O2S/c1-2-12-27-18-7-4-3-6-17(18)24-19(25)8-5-11-23-20(26)15-10-9-14(21)13-16(15)22/h2-4,6-7,9-10,13H,1,5,8,11-12H2,(H,23,26)(H,24,25)