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

Systemtic Name: 6-(2-aminophenyl)sulfanyl-3-azanylidene-5-chloranyl-4,7-bis(4-ethoxybutoxy)isoindol-1-amine Openeye Name: 6-(2-aminophenyl)sulfanyl-5-chloro-4,7-bis(4-ethoxybutoxy)-3-imino-isoindol-1-amine CAS Name: 6-[(2-aminophenyl)thio]-5-chloro-4,7-bis(4-ethoxybutoxy)-3-imino-1-isoindolamine IUPAC Name: 6-(2-aminophenyl)sulfanyl-5-chloro-4,7-bis(4-ethoxybutoxy)-3-iminoisoindol-1-amine Traditional Name: [2-[[3-amino-6-chloro-4,7-bis(4-ethoxybutoxy)-1-imino-isoindol-5-yl]thio]phenyl]amine Formula: C26H35ClN4O4S MolecularWeight: 535.0985

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCCOC1=C(C(=C(C2=C1C(=NC2=N)N)OCCCCOCC)Cl)SC3=CC=CC=C3N

Isomeric SMILES

CCOCCCCOC1=C(C(=C(C2=C1C(=NC2=N)N)OCCCCOCC)Cl)SC3=CC=CC=C3N

InChI

InChI=1S/C26H35ClN4O4S/c1-3-32-13-7-9-15-34-22-19-20(26(30)31-25(19)29)23(35-16-10-8-14-33-4-2)24(21(22)27)36-18-12-6-5-11-17(18)28/h5-6,11-12H,3-4,7-10,13-16,28H2,1-2H3,(H3,29,30,31)