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

Systemtic Name: 6-(2-aminophenyl)sulfanyl-3-azanylidene-5-(4-dimethylaminophenyl)sulfanyl-4,7-bis(5-methylhexoxy)isoindol-1-amine Openeye Name: 6-(2-aminophenyl)sulfanyl-5-(4-dimethylaminophenyl)sulfanyl-3-imino-4,7-bis(5-methylhexoxy)isoindol-1-amine CAS Name: 6-[(2-aminophenyl)thio]-5-[(4-dimethylaminophenyl)thio]-3-imino-4,7-bis(5-methylhexoxy)-1-isoindolamine IUPAC Name: 6-(2-aminophenyl)sulfanyl-5-(4-dimethylaminophenyl)sulfanyl-3-imino-4,7-bis(5-methylhexoxy)isoindol-1-amine Traditional Name: [4-[[1-amino-6-[(2-aminophenyl)thio]-3-imino-4,7-bis(5-methylhexoxy)isoindol-5-yl]thio]phenyl]-dimethyl-amine Formula: C36H49N5O2S2 MolecularWeight: 647.93656

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCOC1=C(C(=C(C2=C1C(=NC2=N)N)OCCCCC(C)C)SC3=CC=C(C=C3)N(C)C)SC4=CC=CC=C4N

Isomeric SMILES

CC(C)CCCCOC1=C(C(=C(C2=C1C(=NC2=N)N)OCCCCC(C)C)SC3=CC=C(C=C3)N(C)C)SC4=CC=CC=C4N

InChI

InChI=1S/C36H49N5O2S2/c1-23(2)13-9-11-21-42-31-29-30(36(39)40-35(29)38)32(43-22-12-10-14-24(3)4)34(45-28-16-8-7-15-27(28)37)33(31)44-26-19-17-25(18-20-26)41(5)6/h7-8,15-20,23-24H,9-14,21-22,37H2,1-6H3,(H3,38,39,40)