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

Systemtic Name: 6-(2-aminophenyl)sulfanyl-3-azanylidene-5-fluoranyl-4,7-bis(3-methylbutoxy)isoindol-1-amine Openeye Name: 6-(2-aminophenyl)sulfanyl-5-fluoro-3-imino-4,7-diisopentyloxy-isoindol-1-amine CAS Name: 6-[(2-aminophenyl)thio]-5-fluoro-3-imino-4,7-bis(3-methylbutoxy)-1-isoindolamine IUPAC Name: 6-(2-aminophenyl)sulfanyl-5-fluoro-3-imino-4,7-bis(3-methylbutoxy)isoindol-1-amine Traditional Name: [2-[(3-amino-6-fluoro-1-imino-4,7-diisoamoxy-isoindol-5-yl)thio]phenyl]amine Formula: C24H31FN4O2S MolecularWeight: 458.591943

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=C(C(=C(C2=C1C(=NC2=N)N)OCCC(C)C)F)SC3=CC=CC=C3N

Isomeric SMILES

CC(C)CCOC1=C(C(=C(C2=C1C(=NC2=N)N)OCCC(C)C)F)SC3=CC=CC=C3N

InChI

InChI=1S/C24H31FN4O2S/c1-13(2)9-11-30-20-17-18(24(28)29-23(17)27)21(31-12-10-14(3)4)22(19(20)25)32-16-8-6-5-7-15(16)26/h5-8,13-14H,9-12,26H2,1-4H3,(H3,27,28,29)