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

Systemtic Name: 5-(2-aminophenyl)sulfanyl-3-azanylidene-4,7-bis(4-methylpentoxy)-6-propan-2-ylsulfanyl-isoindol-1-amine Openeye Name: 5-(2-aminophenyl)sulfanyl-3-imino-4,7-diisohexyloxy-6-isopropylsulfanyl-isoindol-1-amine CAS Name: 5-[(2-aminophenyl)thio]-3-imino-4,7-bis(4-methylpentoxy)-6-(propan-2-ylthio)-1-isoindolamine IUPAC Name: 5-(2-aminophenyl)sulfanyl-3-imino-4,7-bis(4-methylpentoxy)-6-propan-2-ylsulfanylisoindol-1-amine Traditional Name: [2-[[1-amino-3-imino-4,7-diisohexyloxy-6-(isopropylthio)isoindol-5-yl]thio]phenyl]amine Formula: C29H42N4O2S2 MolecularWeight: 542.79938

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCOC1=C(C(=C(C2=C1C(=NC2=N)N)OCCCC(C)C)SC3=CC=CC=C3N)SC(C)C

Isomeric SMILES

CC(C)CCCOC1=C(C(=C(C2=C1C(=NC2=N)N)OCCCC(C)C)SC3=CC=CC=C3N)SC(C)C

InChI

InChI=1S/C29H42N4O2S2/c1-17(2)11-9-15-34-24-22-23(29(32)33-28(22)31)25(35-16-10-12-18(3)4)27(26(24)36-19(5)6)37-21-14-8-7-13-20(21)30/h7-8,13-14,17-19H,9-12,15-16,30H2,1-6H3,(H3,31,32,33)