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

Systemtic Name: 6-(2-aminophenyl)sulfanyl-3-azanylidene-5-(4-fluorophenyl)sulfanyl-4,7-dioctoxy-isoindol-1-amine Openeye Name: 6-(2-aminophenyl)sulfanyl-5-(4-fluorophenyl)sulfanyl-3-imino-4,7-dioctoxy-isoindol-1-amine CAS Name: 6-[(2-aminophenyl)thio]-5-[(4-fluorophenyl)thio]-3-imino-4,7-dioctoxy-1-isoindolamine IUPAC Name: 6-(2-aminophenyl)sulfanyl-5-(4-fluorophenyl)sulfanyl-3-imino-4,7-dioctoxyisoindol-1-amine Traditional Name: [2-[[3-amino-6-[(4-fluorophenyl)thio]-1-imino-4,7-dioctoxy-isoindol-5-yl]thio]phenyl]amine Formula: C36H47FN4O2S2 MolecularWeight: 650.912383

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C(=C(C2=C1C(=NC2=N)N)OCCCCCCCC)SC3=CC=C(C=C3)F)SC4=CC=CC=C4N

Isomeric SMILES

CCCCCCCCOC1=C(C(=C(C2=C1C(=NC2=N)N)OCCCCCCCC)SC3=CC=C(C=C3)F)SC4=CC=CC=C4N

InChI

InChI=1S/C36H47FN4O2S2/c1-3-5-7-9-11-15-23-42-31-29-30(36(40)41-35(29)39)32(43-24-16-12-10-8-6-4-2)34(45-28-18-14-13-17-27(28)38)33(31)44-26-21-19-25(37)20-22-26/h13-14,17-22H,3-12,15-16,23-24,38H2,1-2H3,(H3,39,40,41)