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

Systemtic Name: 6-(2-aminophenyl)sulfanyl-3-azanylidene-5-bromanyl-4,7-dihexoxy-isoindol-1-amine Openeye Name: 6-(2-aminophenyl)sulfanyl-5-bromo-4,7-dihexoxy-3-imino-isoindol-1-amine CAS Name: 6-[(2-aminophenyl)thio]-5-bromo-4,7-dihexoxy-3-imino-1-isoindolamine IUPAC Name: 6-(2-aminophenyl)sulfanyl-5-bromo-4,7-dihexoxy-3-iminoisoindol-1-amine Traditional Name: [2-[(3-amino-6-bromo-4,7-dihexoxy-1-imino-isoindol-5-yl)thio]phenyl]amine Formula: C26H35BrN4O2S MolecularWeight: 547.5507

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C(=C(C2=C1C(=NC2=N)N)OCCCCCC)Br)SC3=CC=CC=C3N

Isomeric SMILES

CCCCCCOC1=C(C(=C(C2=C1C(=NC2=N)N)OCCCCCC)Br)SC3=CC=CC=C3N

InChI

InChI=1S/C26H35BrN4O2S/c1-3-5-7-11-15-32-22-19-20(26(30)31-25(19)29)23(33-16-12-8-6-4-2)24(21(22)27)34-18-14-10-9-13-17(18)28/h9-10,13-14H,3-8,11-12,15-16,28H2,1-2H3,(H3,29,30,31)