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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C(=C(C2=C1C(=NC2=N)N)OCCCCC)F)SC3=CC=CC=C3N

Isomeric SMILES

CCCCCOC1=C(C(=C(C2=C1C(=NC2=N)N)OCCCCC)F)SC3=CC=CC=C3N

InChI

InChI=1S/C24H31FN4O2S/c1-3-5-9-13-30-20-17-18(24(28)29-23(17)27)21(31-14-10-6-4-2)22(19(20)25)32-16-12-8-7-11-15(16)26/h7-8,11-12H,3-6,9-10,13-14,26H2,1-2H3,(H3,27,28,29)