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

Systemtic Name: 5-(2-aminophenyl)sulfanyl-3-azanylidene-6-hexylsulfanyl-4,7-bis(2-methoxyethoxy)isoindol-1-amine Openeye Name: 5-(2-aminophenyl)sulfanyl-6-hexylsulfanyl-3-imino-4,7-bis(2-methoxyethoxy)isoindol-1-amine CAS Name: 5-[(2-aminophenyl)thio]-6-(hexylthio)-3-imino-4,7-bis(2-methoxyethoxy)-1-isoindolamine IUPAC Name: 5-(2-aminophenyl)sulfanyl-6-hexylsulfanyl-3-imino-4,7-bis(2-methoxyethoxy)isoindol-1-amine Traditional Name: [2-[[1-amino-6-(hexylthio)-3-imino-4,7-bis(2-methoxyethoxy)isoindol-5-yl]thio]phenyl]amine Formula: C26H36N4O4S2 MolecularWeight: 532.71844

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC1=C(C2=C(C(=C1SC3=CC=CC=C3N)OCCOC)C(=N)N=C2N)OCCOC

Isomeric SMILES

CCCCCCSC1=C(C2=C(C(=C1SC3=CC=CC=C3N)OCCOC)C(=N)N=C2N)OCCOC

InChI

InChI=1S/C26H36N4O4S2/c1-4-5-6-9-16-35-23-21(33-14-12-31-2)19-20(26(29)30-25(19)28)22(34-15-13-32-3)24(23)36-18-11-8-7-10-17(18)27/h7-8,10-11H,4-6,9,12-16,27H2,1-3H3,(H3,28,29,30)