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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=C(C2=C(C(=C1SC3=CC=CC=C3N)OCCC(C)C)C(=N)N=C2N)OCCC(C)C

Isomeric SMILES

CCSC1=C(C2=C(C(=C1SC3=CC=CC=C3N)OCCC(C)C)C(=N)N=C2N)OCCC(C)C

InChI

InChI=1S/C26H36N4O2S2/c1-6-33-23-21(31-13-11-15(2)3)19-20(26(29)30-25(19)28)22(32-14-12-16(4)5)24(23)34-18-10-8-7-9-17(18)27/h7-10,15-16H,6,11-14,27H2,1-5H3,(H3,28,29,30)