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

Systemtic Name: 6-(2-aminophenyl)sulfanyl-3-azanylidene-5-chloranyl-4,7-didodecoxy-isoindol-1-amine Openeye Name: 6-(2-aminophenyl)sulfanyl-5-chloro-4,7-didodecoxy-3-imino-isoindol-1-amine CAS Name: 6-[(2-aminophenyl)thio]-5-chloro-4,7-didodecoxy-3-imino-1-isoindolamine IUPAC Name: 6-(2-aminophenyl)sulfanyl-5-chloro-4,7-didodecoxy-3-iminoisoindol-1-amine Traditional Name: [2-[(3-amino-6-chloro-1-imino-4,7-dilauryloxy-isoindol-5-yl)thio]phenyl]amine Formula: C38H59ClN4O2S MolecularWeight: 671.41866

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=C(C(=C(C2=C1C(=NC2=N)N)OCCCCCCCCCCCC)Cl)SC3=CC=CC=C3N

Isomeric SMILES

CCCCCCCCCCCCOC1=C(C(=C(C2=C1C(=NC2=N)N)OCCCCCCCCCCCC)Cl)SC3=CC=CC=C3N

InChI

InChI=1S/C38H59ClN4O2S/c1-3-5-7-9-11-13-15-17-19-23-27-44-34-31-32(38(42)43-37(31)41)35(36(33(34)39)46-30-26-22-21-25-29(30)40)45-28-24-20-18-16-14-12-10-8-6-4-2/h21-22,25-26H,3-20,23-24,27-28,40H2,1-2H3,(H3,41,42,43)