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

Systemtic Name: 5-(2-aminophenyl)sulfanyl-3-azanylidene-6-methylsulfanyl-4,7-dioctoxy-isoindol-1-amine Openeye Name: 5-(2-aminophenyl)sulfanyl-3-imino-6-methylsulfanyl-4,7-dioctoxy-isoindol-1-amine CAS Name: 5-[(2-aminophenyl)thio]-3-imino-6-(methylthio)-4,7-dioctoxy-1-isoindolamine IUPAC Name: 5-(2-aminophenyl)sulfanyl-3-imino-6-methylsulfanyl-4,7-dioctoxyisoindol-1-amine Traditional Name: [2-[[1-amino-3-imino-6-(methylthio)-4,7-dioctoxy-isoindol-5-yl]thio]phenyl]amine Formula: C31H46N4O2S2 MolecularWeight: 570.85254

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C(=C(C2=C1C(=NC2=N)N)OCCCCCCCC)SC3=CC=CC=C3N)SC

Isomeric SMILES

CCCCCCCCOC1=C(C(=C(C2=C1C(=NC2=N)N)OCCCCCCCC)SC3=CC=CC=C3N)SC

InChI

InChI=1S/C31H46N4O2S2/c1-4-6-8-10-12-16-20-36-26-24-25(31(34)35-30(24)33)27(37-21-17-13-11-9-7-5-2)29(28(26)38-3)39-23-19-15-14-18-22(23)32/h14-15,18-19H,4-13,16-17,20-21,32H2,1-3H3,(H3,33,34,35)