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

Systemtic Name: 6-(2-aminophenyl)sulfanyl-3-azanylidene-5-(4-butylphenyl)sulfanyl-4,7-diethoxy-isoindol-1-amine Openeye Name: 6-(2-aminophenyl)sulfanyl-5-(4-butylphenyl)sulfanyl-4,7-diethoxy-3-imino-isoindol-1-amine CAS Name: 6-[(2-aminophenyl)thio]-5-[(4-butylphenyl)thio]-4,7-diethoxy-3-imino-1-isoindolamine IUPAC Name: 6-(2-aminophenyl)sulfanyl-5-(4-butylphenyl)sulfanyl-4,7-diethoxy-3-iminoisoindol-1-amine Traditional Name: [2-[[3-amino-6-[(4-butylphenyl)thio]-4,7-diethoxy-1-imino-isoindol-5-yl]thio]phenyl]amine Formula: C28H32N4O2S2 MolecularWeight: 520.70928

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)SC2=C(C3=C(C(=C2SC4=CC=CC=C4N)OCC)C(=NC3=N)N)OCC

Isomeric SMILES

CCCCC1=CC=C(C=C1)SC2=C(C3=C(C(=C2SC4=CC=CC=C4N)OCC)C(=NC3=N)N)OCC

InChI

InChI=1S/C28H32N4O2S2/c1-4-7-10-17-13-15-18(16-14-17)35-25-23(33-5-2)21-22(28(31)32-27(21)30)24(34-6-3)26(25)36-20-12-9-8-11-19(20)29/h8-9,11-16H,4-7,10,29H2,1-3H3,(H3,30,31,32)