N-[4-(2,4-dimethylphenoxy)butyl]-4-[2-(dioxidanyl)ethynylsulfanyl]-1-oxidanyl-naphthalene-2-carboxamide

Systemtic Name: N-[4-(2,4-dimethylphenoxy)butyl]-4-[2-(dioxidanyl)ethynylsulfanyl]-1-oxidanyl-naphthalene-2-carboxamide Openeye Name: N-[4-(2,4-dimethylphenoxy)butyl]-4-(2-hydroperoxyethynylsulfanyl)-1-hydroxy-naphthalene-2-carboxamide CAS Name: N-[4-(2,4-dimethylphenoxy)butyl]-4-(2-hydroperoxyethynylthio)-1-hydroxy-2-naphthalenecarboxamide IUPAC Name: N-[4-(2,4-dimethylphenoxy)butyl]-4-(2-hydroperoxyethynylsulfanyl)-1-hydroxynaphthalene-2-carboxamide Traditional Name: N-[4-(2,4-dimethylphenoxy)butyl]-4-(2-hydroperoxyethynylthio)-1-hydroxy-2-naphthamide Formula: C25H25NO5S MolecularWeight: 451.5347

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCCCCNC(=O)C2=C(C3=CC=CC=C3C(=C2)SC#COO)O)C

Isomeric SMILES

CC1=CC(=C(C=C1)OCCCCNC(=O)C2=C(C3=CC=CC=C3C(=C2)SC#COO)O)C

InChI

InChI=1S/C25H25NO5S/c1-17-9-10-22(18(2)15-17)30-12-6-5-11-26-25(28)21-16-23(32-14-13-31-29)19-7-3-4-8-20(19)24(21)27/h3-4,7-10,15-16,27,29H,5-6,11-12H2,1-2H3,(H,26,28)