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

Systemtic Name: 6-(2-aminophenyl)sulfanyl-3-azanylidene-4,7-bis(4-methylpentoxy)-5-(4-methylphenyl)sulfanyl-isoindol-1-amine Openeye Name: 6-(2-aminophenyl)sulfanyl-3-imino-4,7-diisohexyloxy-5-(p-tolylsulfanyl)isoindol-1-amine CAS Name: 6-[(2-aminophenyl)thio]-3-imino-4,7-bis(4-methylpentoxy)-5-[(4-methylphenyl)thio]-1-isoindolamine IUPAC Name: 6-(2-aminophenyl)sulfanyl-3-imino-4,7-bis(4-methylpentoxy)-5-(4-methylphenyl)sulfanylisoindol-1-amine Traditional Name: [2-[[3-amino-1-imino-4,7-diisohexyloxy-6-(p-tolylthio)isoindol-5-yl]thio]phenyl]amine Formula: C33H42N4O2S2 MolecularWeight: 590.84218

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C3=C(C(=C2SC4=CC=CC=C4N)OCCCC(C)C)C(=NC3=N)N)OCCCC(C)C

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C3=C(C(=C2SC4=CC=CC=C4N)OCCCC(C)C)C(=NC3=N)N)OCCCC(C)C

InChI

InChI=1S/C33H42N4O2S2/c1-20(2)10-8-18-38-28-26-27(33(36)37-32(26)35)29(39-19-9-11-21(3)4)31(41-25-13-7-6-12-24(25)34)30(28)40-23-16-14-22(5)15-17-23/h6-7,12-17,20-21H,8-11,18-19,34H2,1-5H3,(H3,35,36,37)