5-(2-aminophenyl)sulfanyl-3-azanylidene-6-ethylsulfanyl-4,7-di(pentan-2-yloxy)isoindol-1-amine

Systemtic Name: 5-(2-aminophenyl)sulfanyl-3-azanylidene-6-ethylsulfanyl-4,7-di(pentan-2-yloxy)isoindol-1-amine Openeye Name: 5-(2-aminophenyl)sulfanyl-6-ethylsulfanyl-3-imino-4,7-bis(1-methylbutoxy)isoindol-1-amine CAS Name: 5-[(2-aminophenyl)thio]-6-(ethylthio)-3-imino-4,7-di(pentan-2-yloxy)-1-isoindolamine IUPAC Name: 5-(2-aminophenyl)sulfanyl-6-ethylsulfanyl-3-imino-4,7-di(pentan-2-yloxy)isoindol-1-amine Traditional Name: [2-[[1-amino-6-(ethylthio)-3-imino-4,7-bis(1-methylbutoxy)isoindol-5-yl]thio]phenyl]amine Formula: C26H36N4O2S2 MolecularWeight: 500.71964

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)OC1=C(C(=C(C2=C1C(=NC2=N)N)OC(C)CCC)SC3=CC=CC=C3N)SCC

Isomeric SMILES

CCCC(C)OC1=C(C(=C(C2=C1C(=NC2=N)N)OC(C)CCC)SC3=CC=CC=C3N)SCC

InChI

InChI=1S/C26H36N4O2S2/c1-6-11-15(4)31-21-19-20(26(29)30-25(19)28)22(32-16(5)12-7-2)24(23(21)33-8-3)34-18-14-10-9-13-17(18)27/h9-10,13-16H,6-8,11-12,27H2,1-5H3,(H3,28,29,30)