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

Systemtic Name: 5-(2-aminophenyl)sulfanyl-3-azanylidene-6-(2,4-dimethylphenyl)sulfanyl-4,7-diheptoxy-isoindol-1-amine Openeye Name: 5-(2-aminophenyl)sulfanyl-6-(2,4-dimethylphenyl)sulfanyl-4,7-diheptoxy-3-imino-isoindol-1-amine CAS Name: 5-[(2-aminophenyl)thio]-6-[(2,4-dimethylphenyl)thio]-4,7-diheptoxy-3-imino-1-isoindolamine IUPAC Name: 5-(2-aminophenyl)sulfanyl-6-(2,4-dimethylphenyl)sulfanyl-4,7-diheptoxy-3-iminoisoindol-1-amine Traditional Name: [2-[[1-amino-6-[(2,4-dimethylphenyl)thio]-4,7-diheptoxy-3-imino-isoindol-5-yl]thio]phenyl]amine Formula: C36H48N4O2S2 MolecularWeight: 632.92192

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=C(C(=C(C2=C1C(=NC2=N)N)OCCCCCCC)SC3=CC=CC=C3N)SC4=C(C=C(C=C4)C)C

Isomeric SMILES

CCCCCCCOC1=C(C(=C(C2=C1C(=NC2=N)N)OCCCCCCC)SC3=CC=CC=C3N)SC4=C(C=C(C=C4)C)C

InChI

InChI=1S/C36H48N4O2S2/c1-5-7-9-11-15-21-41-31-29-30(36(39)40-35(29)38)32(42-22-16-12-10-8-6-2)34(44-28-18-14-13-17-26(28)37)33(31)43-27-20-19-24(3)23-25(27)4/h13-14,17-20,23H,5-12,15-16,21-22,37H2,1-4H3,(H3,38,39,40)