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

Systemtic Name: 6-(2-aminophenyl)sulfanyl-3-azanylidene-5-chloranyl-4,7-di(undecoxy)isoindol-1-amine Openeye Name: 6-(2-aminophenyl)sulfanyl-5-chloro-3-imino-4,7-di(undecoxy)isoindol-1-amine CAS Name: 6-[(2-aminophenyl)thio]-5-chloro-3-imino-4,7-di(undecoxy)-1-isoindolamine IUPAC Name: 6-(2-aminophenyl)sulfanyl-5-chloro-3-imino-4,7-di(undecoxy)isoindol-1-amine Traditional Name: [2-[[3-amino-6-chloro-1-imino-4,7-di(undecoxy)isoindol-5-yl]thio]phenyl]amine Formula: C36H55ClN4O2S MolecularWeight: 643.3655

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCOC1=C(C(=C(C2=C1C(=NC2=N)N)OCCCCCCCCCCC)Cl)SC3=CC=CC=C3N

Isomeric SMILES

CCCCCCCCCCCOC1=C(C(=C(C2=C1C(=NC2=N)N)OCCCCCCCCCCC)Cl)SC3=CC=CC=C3N

InChI

InChI=1S/C36H55ClN4O2S/c1-3-5-7-9-11-13-15-17-21-25-42-32-29-30(36(40)41-35(29)39)33(43-26-22-18-16-14-12-10-8-6-4-2)34(31(32)37)44-28-24-20-19-23-27(28)38/h19-20,23-24H,3-18,21-22,25-26,38H2,1-2H3,(H3,39,40,41)