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

Systemtic Name: 6-(2-aminophenyl)sulfanyl-3-azanylidene-5-chloranyl-4,7-bis(2,2-dimethylpropoxy)isoindol-1-amine Openeye Name: 6-(2-aminophenyl)sulfanyl-5-chloro-4,7-bis(2,2-dimethylpropoxy)-3-imino-isoindol-1-amine CAS Name: 6-[(2-aminophenyl)thio]-5-chloro-4,7-bis(2,2-dimethylpropoxy)-3-imino-1-isoindolamine IUPAC Name: 6-(2-aminophenyl)sulfanyl-5-chloro-4,7-bis(2,2-dimethylpropoxy)-3-iminoisoindol-1-amine Traditional Name: [2-[(3-amino-6-chloro-1-imino-4,7-dineopentyloxy-isoindol-5-yl)thio]phenyl]amine Formula: C24H31ClN4O2S MolecularWeight: 475.04654

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)COC1=C(C(=C(C2=C1C(=NC2=N)N)OCC(C)(C)C)Cl)SC3=CC=CC=C3N

Isomeric SMILES

CC(C)(C)COC1=C(C(=C(C2=C1C(=NC2=N)N)OCC(C)(C)C)Cl)SC3=CC=CC=C3N

InChI

InChI=1S/C24H31ClN4O2S/c1-23(2,3)11-30-18-15-16(22(28)29-21(15)27)19(31-12-24(4,5)6)20(17(18)25)32-14-10-8-7-9-13(14)26/h7-10H,11-12,26H2,1-6H3,(H3,27,28,29)