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

Systemtic Name: 6-(2-aminophenyl)sulfanyl-3-azanylidene-5-chloranyl-4,7-dipropoxy-isoindol-1-amine Openeye Name: 6-(2-aminophenyl)sulfanyl-5-chloro-3-imino-4,7-dipropoxy-isoindol-1-amine CAS Name: 6-[(2-aminophenyl)thio]-5-chloro-3-imino-4,7-dipropoxy-1-isoindolamine IUPAC Name: 6-(2-aminophenyl)sulfanyl-5-chloro-3-imino-4,7-dipropoxyisoindol-1-amine Traditional Name: [2-[(3-amino-6-chloro-1-imino-4,7-dipropoxy-isoindol-5-yl)thio]phenyl]amine Formula: C20H23ClN4O2S MolecularWeight: 418.94022

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C(=C(C2=C1C(=NC2=N)N)OCCC)Cl)SC3=CC=CC=C3N

Isomeric SMILES

CCCOC1=C(C(=C(C2=C1C(=NC2=N)N)OCCC)Cl)SC3=CC=CC=C3N

InChI

InChI=1S/C20H23ClN4O2S/c1-3-9-26-16-13-14(20(24)25-19(13)23)17(27-10-4-2)18(15(16)21)28-12-8-6-5-7-11(12)22/h5-8H,3-4,9-10,22H2,1-2H3,(H3,23,24,25)