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

Systemtic Name: 6-(2-aminophenyl)sulfanyl-3-azanylidene-5-chloranyl-4,7-diheptoxy-isoindol-1-amine Openeye Name: 6-(2-aminophenyl)sulfanyl-5-chloro-4,7-diheptoxy-3-imino-isoindol-1-amine CAS Name: 6-[(2-aminophenyl)thio]-5-chloro-4,7-diheptoxy-3-imino-1-isoindolamine IUPAC Name: 6-(2-aminophenyl)sulfanyl-5-chloro-4,7-diheptoxy-3-iminoisoindol-1-amine Traditional Name: [2-[(3-amino-6-chloro-4,7-diheptoxy-1-imino-isoindol-5-yl)thio]phenyl]amine Formula: C28H39ClN4O2S MolecularWeight: 531.15286

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=C(C(=C(C2=C1C(=NC2=N)N)OCCCCCCC)Cl)SC3=CC=CC=C3N

Isomeric SMILES

CCCCCCCOC1=C(C(=C(C2=C1C(=NC2=N)N)OCCCCCCC)Cl)SC3=CC=CC=C3N

InChI

InChI=1S/C28H39ClN4O2S/c1-3-5-7-9-13-17-34-24-21-22(28(32)33-27(21)31)25(35-18-14-10-8-6-4-2)26(23(24)29)36-20-16-12-11-15-19(20)30/h11-12,15-16H,3-10,13-14,17-18,30H2,1-2H3,(H3,31,32,33)