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

Systemtic Name: 6-(2-aminophenyl)sulfanyl-3-azanylidene-5-bromanyl-4,7-bis(3-ethoxypropoxy)isoindol-1-amine Openeye Name: 6-(2-aminophenyl)sulfanyl-5-bromo-4,7-bis(3-ethoxypropoxy)-3-imino-isoindol-1-amine CAS Name: 6-[(2-aminophenyl)thio]-5-bromo-4,7-bis(3-ethoxypropoxy)-3-imino-1-isoindolamine IUPAC Name: 6-(2-aminophenyl)sulfanyl-5-bromo-4,7-bis(3-ethoxypropoxy)-3-iminoisoindol-1-amine Traditional Name: [2-[[3-amino-6-bromo-4,7-bis(3-ethoxypropoxy)-1-imino-isoindol-5-yl]thio]phenyl]amine Formula: C24H31BrN4O4S MolecularWeight: 551.49634

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCOC1=C(C(=C(C2=C1C(=NC2=N)N)OCCCOCC)Br)SC3=CC=CC=C3N

Isomeric SMILES

CCOCCCOC1=C(C(=C(C2=C1C(=NC2=N)N)OCCCOCC)Br)SC3=CC=CC=C3N

InChI

InChI=1S/C24H31BrN4O4S/c1-3-30-11-7-13-32-20-17-18(24(28)29-23(17)27)21(33-14-8-12-31-4-2)22(19(20)25)34-16-10-6-5-9-15(16)26/h5-6,9-10H,3-4,7-8,11-14,26H2,1-2H3,(H3,27,28,29)