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

Systemtic Name: 5-(2-aminophenyl)sulfanyl-3-azanylidene-6-(2,2-dimethylpropylsulfanyl)-4,7-dihexoxy-isoindol-1-amine Openeye Name: 5-(2-aminophenyl)sulfanyl-6-(2,2-dimethylpropylsulfanyl)-4,7-dihexoxy-3-imino-isoindol-1-amine CAS Name: 5-[(2-aminophenyl)thio]-6-(2,2-dimethylpropylthio)-4,7-dihexoxy-3-imino-1-isoindolamine IUPAC Name: 5-(2-aminophenyl)sulfanyl-6-(2,2-dimethylpropylsulfanyl)-4,7-dihexoxy-3-iminoisoindol-1-amine Traditional Name: [2-[[1-amino-4,7-dihexoxy-3-imino-6-(neopentylthio)isoindol-5-yl]thio]phenyl]amine Formula: C31H46N4O2S2 MolecularWeight: 570.85254

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C(=C(C2=C1C(=NC2=N)N)OCCCCCC)SC3=CC=CC=C3N)SCC(C)(C)C

Isomeric SMILES

CCCCCCOC1=C(C(=C(C2=C1C(=NC2=N)N)OCCCCCC)SC3=CC=CC=C3N)SCC(C)(C)C

InChI

InChI=1S/C31H46N4O2S2/c1-6-8-10-14-18-36-25-23-24(30(34)35-29(23)33)26(37-19-15-11-9-7-2)28(27(25)38-20-31(3,4)5)39-22-17-13-12-16-21(22)32/h12-13,16-17H,6-11,14-15,18-20,32H2,1-5H3,(H3,33,34,35)