4-(4-methylsulfanylphenyl)-N-[3-(3-nitrophenoxy)propyl]-4-oxidanylidene-butanamide

Systemtic Name: 4-(4-methylsulfanylphenyl)-N-[3-(3-nitrophenoxy)propyl]-4-oxidanylidene-butanamide Openeye Name: 4-(4-methylsulfanylphenyl)-N-[3-(3-nitrophenoxy)propyl]-4-oxo-butanamide CAS Name: 4-[4-(methylthio)phenyl]-N-[3-(3-nitrophenoxy)propyl]-4-oxobutanamide IUPAC Name: 4-(4-methylsulfanylphenyl)-N-[3-(3-nitrophenoxy)propyl]-4-oxobutanamide Traditional Name: 4-keto-4-[4-(methylthio)phenyl]-N-[3-(3-nitrophenoxy)propyl]butyramide Formula: C20H22N2O5S MolecularWeight: 402.46408

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(=O)CCC(=O)NCCCOC2=CC=CC(=C2)[N+](=O)[O-]

Isomeric SMILES

CSC1=CC=C(C=C1)C(=O)CCC(=O)NCCCOC2=CC=CC(=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H22N2O5S/c1-28-18-8-6-15(7-9-18)19(23)10-11-20(24)21-12-3-13-27-17-5-2-4-16(14-17)22(25)26/h2,4-9,14H,3,10-13H2,1H3,(H,21,24)