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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C(=C(C2=C1C(=NC2=N)N)OC(C)C)Cl)SC3=CC=CC=C3N

Isomeric SMILES

CC(C)OC1=C(C(=C(C2=C1C(=NC2=N)N)OC(C)C)Cl)SC3=CC=CC=C3N

InChI

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