4-butoxy-N'-[2,3,5-tris(fluoranyl)-4-hexoxy-6-propylsulfanyl-phenyl]benzenecarboximidamide

Systemtic Name: 4-butoxy-N'-[2,3,5-tris(fluoranyl)-4-hexoxy-6-propylsulfanyl-phenyl]benzenecarboximidamide Openeye Name: 4-butoxy-N'-(2,3,5-trifluoro-4-hexoxy-6-propylsulfanyl-phenyl)benzamidine CAS Name: 4-butoxy-N'-[2,3,5-trifluoro-4-hexoxy-6-(propylthio)phenyl]benzenecarboximidamide IUPAC Name: 4-butoxy-N'-(2,3,5-trifluoro-4-hexoxy-6-propylsulfanylphenyl)benzenecarboximidamide Traditional Name: 4-butoxy-N'-[2,3,5-trifluoro-4-hexoxy-6-(propylthio)phenyl]benzamidine Formula: C26H35F3N2O2S MolecularWeight: 496.62851

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C(=C(C(=C1F)SCCC)N=C(C2=CC=C(C=C2)OCCCC)N)F)F

Isomeric SMILES

CCCCCCOC1=C(C(=C(C(=C1F)SCCC)N=C(C2=CC=C(C=C2)OCCCC)N)F)F

InChI

InChI=1S/C26H35F3N2O2S/c1-4-7-9-10-16-33-24-21(28)20(27)23(25(22(24)29)34-17-6-3)31-26(30)18-11-13-19(14-12-18)32-15-8-5-2/h11-14H,4-10,15-17H2,1-3H3,(H2,30,31)