5-(2-aminophenyl)sulfanyl-3-azanylidene-4,7-bis(2-ethoxyethoxy)-6-hexan-2-ylsulfanyl-isoindol-1-amine

Systemtic Name: 5-(2-aminophenyl)sulfanyl-3-azanylidene-4,7-bis(2-ethoxyethoxy)-6-hexan-2-ylsulfanyl-isoindol-1-amine Openeye Name: 5-(2-aminophenyl)sulfanyl-4,7-bis(2-ethoxyethoxy)-3-imino-6-(1-methylpentylsulfanyl)isoindol-1-amine CAS Name: 5-[(2-aminophenyl)thio]-4,7-bis(2-ethoxyethoxy)-6-(hexan-2-ylthio)-3-imino-1-isoindolamine IUPAC Name: 5-(2-aminophenyl)sulfanyl-4,7-bis(2-ethoxyethoxy)-6-hexan-2-ylsulfanyl-3-iminoisoindol-1-amine Traditional Name: [2-[[1-amino-4,7-bis(2-ethoxyethoxy)-3-imino-6-(1-methylpentylthio)isoindol-5-yl]thio]phenyl]amine Formula: C28H40N4O4S2 MolecularWeight: 560.7716

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)SC1=C(C2=C(C(=C1SC3=CC=CC=C3N)OCCOCC)C(=N)N=C2N)OCCOCC

Isomeric SMILES

CCCCC(C)SC1=C(C2=C(C(=C1SC3=CC=CC=C3N)OCCOCC)C(=N)N=C2N)OCCOCC

InChI

InChI=1S/C28H40N4O4S2/c1-5-8-11-18(4)37-25-23(35-16-14-33-6-2)21-22(28(31)32-27(21)30)24(36-17-15-34-7-3)26(25)38-20-13-10-9-12-19(20)29/h9-10,12-13,18H,5-8,11,14-17,29H2,1-4H3,(H3,30,31,32)