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

Systemtic Name: 6-(2-aminophenyl)sulfanyl-3-azanylidene-5-chloranyl-4,7-bis(2-ethylhexoxy)isoindol-1-amine Openeye Name: 6-(2-aminophenyl)sulfanyl-5-chloro-4,7-bis(2-ethylhexoxy)-3-imino-isoindol-1-amine CAS Name: 6-[(2-aminophenyl)thio]-5-chloro-4,7-bis(2-ethylhexoxy)-3-imino-1-isoindolamine IUPAC Name: 6-(2-aminophenyl)sulfanyl-5-chloro-4,7-bis(2-ethylhexoxy)-3-iminoisoindol-1-amine Traditional Name: [2-[[3-amino-6-chloro-4,7-bis(2-ethylhexoxy)-1-imino-isoindol-5-yl]thio]phenyl]amine Formula: C30H43ClN4O2S MolecularWeight: 559.20602

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)COC1=C(C(=C(C2=C1C(=NC2=N)N)OCC(CC)CCCC)Cl)SC3=CC=CC=C3N

Isomeric SMILES

CCCCC(CC)COC1=C(C(=C(C2=C1C(=NC2=N)N)OCC(CC)CCCC)Cl)SC3=CC=CC=C3N

InChI

InChI=1S/C30H43ClN4O2S/c1-5-9-13-19(7-3)17-36-26-23-24(30(34)35-29(23)33)27(37-18-20(8-4)14-10-6-2)28(25(26)31)38-22-16-12-11-15-21(22)32/h11-12,15-16,19-20H,5-10,13-14,17-18,32H2,1-4H3,(H3,33,34,35)