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

Systemtic Name: 6-(2-aminophenyl)sulfanyl-3-azanylidene-5-bromanyl-4,7-bis(2-methylpropoxy)isoindol-1-amine Openeye Name: 6-(2-aminophenyl)sulfanyl-5-bromo-3-imino-4,7-diisobutoxy-isoindol-1-amine CAS Name: 6-[(2-aminophenyl)thio]-5-bromo-3-imino-4,7-bis(2-methylpropoxy)-1-isoindolamine IUPAC Name: 6-(2-aminophenyl)sulfanyl-5-bromo-3-imino-4,7-bis(2-methylpropoxy)isoindol-1-amine Traditional Name: [2-[(3-amino-6-bromo-1-imino-4,7-diisobutoxy-isoindol-5-yl)thio]phenyl]amine Formula: C22H27BrN4O2S MolecularWeight: 491.44438

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=C(C(=C(C2=C1C(=NC2=N)N)OCC(C)C)Br)SC3=CC=CC=C3N

Isomeric SMILES

CC(C)COC1=C(C(=C(C2=C1C(=NC2=N)N)OCC(C)C)Br)SC3=CC=CC=C3N

InChI

InChI=1S/C22H27BrN4O2S/c1-11(2)9-28-18-15-16(22(26)27-21(15)25)19(29-10-12(3)4)20(17(18)23)30-14-8-6-5-7-13(14)24/h5-8,11-12H,9-10,24H2,1-4H3,(H3,25,26,27)