6-(2-aminophenyl)sulfanyl-3-azanylidene-5-fluoranyl-4,7-bis(5-methylhexoxy)isoindol-1-amine

Systemtic Name: 6-(2-aminophenyl)sulfanyl-3-azanylidene-5-fluoranyl-4,7-bis(5-methylhexoxy)isoindol-1-amine Openeye Name: 6-(2-aminophenyl)sulfanyl-5-fluoro-3-imino-4,7-bis(5-methylhexoxy)isoindol-1-amine CAS Name: 6-[(2-aminophenyl)thio]-5-fluoro-3-imino-4,7-bis(5-methylhexoxy)-1-isoindolamine IUPAC Name: 6-(2-aminophenyl)sulfanyl-5-fluoro-3-imino-4,7-bis(5-methylhexoxy)isoindol-1-amine Traditional Name: [2-[[3-amino-6-fluoro-1-imino-4,7-bis(5-methylhexoxy)isoindol-5-yl]thio]phenyl]amine Formula: C28H39FN4O2S MolecularWeight: 514.698263

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCOC1=C(C(=C(C2=C1C(=NC2=N)N)OCCCCC(C)C)F)SC3=CC=CC=C3N

Isomeric SMILES

CC(C)CCCCOC1=C(C(=C(C2=C1C(=NC2=N)N)OCCCCC(C)C)F)SC3=CC=CC=C3N

InChI

InChI=1S/C28H39FN4O2S/c1-17(2)11-7-9-15-34-24-21-22(28(32)33-27(21)31)25(35-16-10-8-12-18(3)4)26(23(24)29)36-20-14-6-5-13-19(20)30/h5-6,13-14,17-18H,7-12,15-16,30H2,1-4H3,(H3,31,32,33)