6-[[(Z)-3-(4-methylsulfanylphenyl)-2-(4-nitrophenyl)prop-2-enoyl]amino]-N-oxidanyl-hexanamide

Systemtic Name: 6-[[(Z)-3-(4-methylsulfanylphenyl)-2-(4-nitrophenyl)prop-2-enoyl]amino]-N-oxidanyl-hexanamide Openeye Name: (Z)-N-[6-(hydroxyamino)-6-oxo-hexyl]-3-(4-methylsulfanylphenyl)-2-(4-nitrophenyl)prop-2-enamide CAS Name: N-hydroxy-6-[[(Z)-3-[4-(methylthio)phenyl]-2-(4-nitrophenyl)-1-oxoprop-2-enyl]amino]hexanamide IUPAC Name: N-hydroxy-6-[[(Z)-3-(4-methylsulfanylphenyl)-2-(4-nitrophenyl)prop-2-enoyl]amino]hexanamide Traditional Name: (Z)-N-[6-(hydroxyamino)-6-keto-hexyl]-3-[4-(methylthio)phenyl]-2-(4-nitrophenyl)acrylamide Formula: C22H25N3O5S MolecularWeight: 443.516

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C=C(C2=CC=C(C=C2)[N+](=O)[O-])C(=O)NCCCCCC(=O)NO

Isomeric SMILES

CSC1=CC=C(C=C1)/C=C(/C2=CC=C(C=C2)[N+](=O)[O-])\C(=O)NCCCCCC(=O)NO

InChI

InChI=1S/C22H25N3O5S/c1-31-19-12-6-16(7-13-19)15-20(17-8-10-18(11-9-17)25(29)30)22(27)23-14-4-2-3-5-21(26)24-28/h6-13,15,28H,2-5,14H2,1H3,(H,23,27)(H,24,26)/b20-15-