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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCOC1=C(C(=C(C2=C1C(=NC2=N)N)OCCCC(C)C)Br)SC3=CC=CC=C3N

Isomeric SMILES

CC(C)CCCOC1=C(C(=C(C2=C1C(=NC2=N)N)OCCCC(C)C)Br)SC3=CC=CC=C3N

InChI

InChI=1S/C26H35BrN4O2S/c1-15(2)9-7-13-32-22-19-20(26(30)31-25(19)29)23(33-14-8-10-16(3)4)24(21(22)27)34-18-12-6-5-11-17(18)28/h5-6,11-12,15-16H,7-10,13-14,28H2,1-4H3,(H3,29,30,31)