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

Systemtic Name: 6-(2-aminophenyl)sulfanyl-3-azanylidene-5-chloranyl-4,7-bis(2-ethoxyethoxy)isoindol-1-amine Openeye Name: 6-(2-aminophenyl)sulfanyl-5-chloro-4,7-bis(2-ethoxyethoxy)-3-imino-isoindol-1-amine CAS Name: 6-[(2-aminophenyl)thio]-5-chloro-4,7-bis(2-ethoxyethoxy)-3-imino-1-isoindolamine IUPAC Name: 6-(2-aminophenyl)sulfanyl-5-chloro-4,7-bis(2-ethoxyethoxy)-3-iminoisoindol-1-amine Traditional Name: [2-[[3-amino-6-chloro-4,7-bis(2-ethoxyethoxy)-1-imino-isoindol-5-yl]thio]phenyl]amine Formula: C22H27ClN4O4S MolecularWeight: 478.99218

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCOC1=C(C(=C(C2=C1C(=NC2=N)N)OCCOCC)Cl)SC3=CC=CC=C3N

Isomeric SMILES

CCOCCOC1=C(C(=C(C2=C1C(=NC2=N)N)OCCOCC)Cl)SC3=CC=CC=C3N

InChI

InChI=1S/C22H27ClN4O4S/c1-3-28-9-11-30-18-15-16(22(26)27-21(15)25)19(31-12-10-29-4-2)20(17(18)23)32-14-8-6-5-7-13(14)24/h5-8H,3-4,9-12,24H2,1-2H3,(H3,25,26,27)