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

Systemtic Name: 6-(2-aminophenyl)sulfanyl-3-azanylidene-5-chloranyl-4,7-bis(2-methoxyethoxy)isoindol-1-amine Openeye Name: 6-(2-aminophenyl)sulfanyl-5-chloro-3-imino-4,7-bis(2-methoxyethoxy)isoindol-1-amine CAS Name: 6-[(2-aminophenyl)thio]-5-chloro-3-imino-4,7-bis(2-methoxyethoxy)-1-isoindolamine IUPAC Name: 6-(2-aminophenyl)sulfanyl-5-chloro-3-imino-4,7-bis(2-methoxyethoxy)isoindol-1-amine Traditional Name: [2-[[3-amino-6-chloro-1-imino-4,7-bis(2-methoxyethoxy)isoindol-5-yl]thio]phenyl]amine Formula: C20H23ClN4O4S MolecularWeight: 450.93902

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC1=C(C(=C(C2=C1C(=NC2=N)N)OCCOC)Cl)SC3=CC=CC=C3N

Isomeric SMILES

COCCOC1=C(C(=C(C2=C1C(=NC2=N)N)OCCOC)Cl)SC3=CC=CC=C3N

InChI

InChI=1S/C20H23ClN4O4S/c1-26-7-9-28-16-13-14(20(24)25-19(13)23)17(29-10-8-27-2)18(15(16)21)30-12-6-4-3-5-11(12)22/h3-6H,7-10,22H2,1-2H3,(H3,23,24,25)