5-(2-aminophenyl)sulfanyl-3-azanylidene-6-(3-methylbutylsulfanyl)-4,7-di(nonoxy)isoindol-1-amine

Systemtic Name: 5-(2-aminophenyl)sulfanyl-3-azanylidene-6-(3-methylbutylsulfanyl)-4,7-di(nonoxy)isoindol-1-amine Openeye Name: 5-(2-aminophenyl)sulfanyl-3-imino-6-isopentylsulfanyl-4,7-di(nonoxy)isoindol-1-amine CAS Name: 5-[(2-aminophenyl)thio]-3-imino-6-(3-methylbutylthio)-4,7-di(nonoxy)-1-isoindolamine IUPAC Name: 5-(2-aminophenyl)sulfanyl-3-imino-6-(3-methylbutylsulfanyl)-4,7-di(nonoxy)isoindol-1-amine Traditional Name: [2-[[1-amino-3-imino-6-(isoamylthio)-4,7-di(nonoxy)isoindol-5-yl]thio]phenyl]amine Formula: C37H58N4O2S2 MolecularWeight: 655.01202

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCOC1=C(C(=C(C2=C1C(=NC2=N)N)OCCCCCCCCC)SC3=CC=CC=C3N)SCCC(C)C

Isomeric SMILES

CCCCCCCCCOC1=C(C(=C(C2=C1C(=NC2=N)N)OCCCCCCCCC)SC3=CC=CC=C3N)SCCC(C)C

InChI

InChI=1S/C37H58N4O2S2/c1-5-7-9-11-13-15-19-24-42-32-30-31(37(40)41-36(30)39)33(43-25-20-16-14-12-10-8-6-2)35(34(32)44-26-23-27(3)4)45-29-22-18-17-21-28(29)38/h17-18,21-22,27H,5-16,19-20,23-26,38H2,1-4H3,(H3,39,40,41)