4-[4-[1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecakis(fluoranyl)octylsulfanylmethyl]phenyl]carbonyl-N-(2-sulfanylethyl)benzamide

Systemtic Name: 4-[4-[1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecakis(fluoranyl)octylsulfanylmethyl]phenyl]carbonyl-N-(2-sulfanylethyl)benzamide Openeye Name: 4-[4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfanylmethyl)benzoyl]-N-(2-sulfanylethyl)benzamide CAS Name: 4-[[4-[(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylthio)methyl]phenyl]-oxomethyl]-N-(2-mercaptoethyl)benzamide IUPAC Name: 4-[4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfanylmethyl)benzoyl]-N-(2-sulfanylethyl)benzamide Traditional Name: 4-[4-[(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylthio)methyl]benzoyl]-N-(2-mercaptoethyl)benzamide Formula: C25H16F17NO2S2 MolecularWeight: 749.502894

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C(=O)C2=CC=C(C=C2)C(=O)NCCS

Isomeric SMILES

C1=CC(=CC=C1CSC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C(=O)C2=CC=C(C=C2)C(=O)NCCS

InChI

InChI=1S/C25H16F17NO2S2/c26-18(27,20(30,31)22(34,35)24(38,39)40)19(28,29)21(32,33)23(36,37)25(41,42)47-11-12-1-3-13(4-2-12)16(44)14-5-7-15(8-6-14)17(45)43-9-10-46/h1-8,46H,9-11H2,(H,43,45)