5-(2-aminophenyl)sulfanyl-3-azanylidene-4,7-dibutoxy-6-cyclohexylsulfanyl-isoindol-1-amine

Systemtic Name: 5-(2-aminophenyl)sulfanyl-3-azanylidene-4,7-dibutoxy-6-cyclohexylsulfanyl-isoindol-1-amine Openeye Name: 5-(2-aminophenyl)sulfanyl-4,7-dibutoxy-6-cyclohexylsulfanyl-3-imino-isoindol-1-amine CAS Name: 5-[(2-aminophenyl)thio]-4,7-dibutoxy-6-(cyclohexylthio)-3-imino-1-isoindolamine IUPAC Name: 5-(2-aminophenyl)sulfanyl-4,7-dibutoxy-6-cyclohexylsulfanyl-3-iminoisoindol-1-amine Traditional Name: [2-[[1-amino-4,7-dibutoxy-6-(cyclohexylthio)-3-imino-isoindol-5-yl]thio]phenyl]amine Formula: C28H38N4O2S2 MolecularWeight: 526.75692

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C(=C(C2=C1C(=NC2=N)N)OCCCC)SC3=CC=CC=C3N)SC4CCCCC4

Isomeric SMILES

CCCCOC1=C(C(=C(C2=C1C(=NC2=N)N)OCCCC)SC3=CC=CC=C3N)SC4CCCCC4

InChI

InChI=1S/C28H38N4O2S2/c1-3-5-16-33-23-21-22(28(31)32-27(21)30)24(34-17-6-4-2)26(36-20-15-11-10-14-19(20)29)25(23)35-18-12-8-7-9-13-18/h10-11,14-15,18H,3-9,12-13,16-17,29H2,1-2H3,(H3,30,31,32)