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

Systemtic Name: 6-(2-aminophenyl)sulfanyl-3-azanylidene-5-chloranyl-4,7-didecoxy-isoindol-1-amine Openeye Name: 6-(2-aminophenyl)sulfanyl-5-chloro-4,7-didecoxy-3-imino-isoindol-1-amine CAS Name: 6-[(2-aminophenyl)thio]-5-chloro-4,7-didecoxy-3-imino-1-isoindolamine IUPAC Name: 6-(2-aminophenyl)sulfanyl-5-chloro-4,7-didecoxy-3-iminoisoindol-1-amine Traditional Name: [2-[(3-amino-6-chloro-4,7-didecoxy-1-imino-isoindol-5-yl)thio]phenyl]amine Formula: C34H51ClN4O2S MolecularWeight: 615.31234

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=C(C(=C(C2=C1C(=NC2=N)N)OCCCCCCCCCC)Cl)SC3=CC=CC=C3N

Isomeric SMILES

CCCCCCCCCCOC1=C(C(=C(C2=C1C(=NC2=N)N)OCCCCCCCCCC)Cl)SC3=CC=CC=C3N

InChI

InChI=1S/C34H51ClN4O2S/c1-3-5-7-9-11-13-15-19-23-40-30-27-28(34(38)39-33(27)37)31(41-24-20-16-14-12-10-8-6-4-2)32(29(30)35)42-26-22-18-17-21-25(26)36/h17-18,21-22H,3-16,19-20,23-24,36H2,1-2H3,(H3,37,38,39)