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

Systemtic Name: 5-(2-aminophenyl)sulfanyl-3-azanylidene-4,7-bis(5-methylhexoxy)-6-pentylsulfanyl-isoindol-1-amine Openeye Name: 5-(2-aminophenyl)sulfanyl-3-imino-4,7-bis(5-methylhexoxy)-6-pentylsulfanyl-isoindol-1-amine CAS Name: 5-[(2-aminophenyl)thio]-3-imino-4,7-bis(5-methylhexoxy)-6-(pentylthio)-1-isoindolamine IUPAC Name: 5-(2-aminophenyl)sulfanyl-3-imino-4,7-bis(5-methylhexoxy)-6-pentylsulfanylisoindol-1-amine Traditional Name: [2-[[1-amino-6-(amylthio)-3-imino-4,7-bis(5-methylhexoxy)isoindol-5-yl]thio]phenyl]amine Formula: C33H50N4O2S2 MolecularWeight: 598.9057

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC1=C(C2=C(C(=C1SC3=CC=CC=C3N)OCCCCC(C)C)C(=N)N=C2N)OCCCCC(C)C

Isomeric SMILES

CCCCCSC1=C(C2=C(C(=C1SC3=CC=CC=C3N)OCCCCC(C)C)C(=N)N=C2N)OCCCCC(C)C

InChI

InChI=1S/C33H50N4O2S2/c1-6-7-14-21-40-30-28(38-19-12-10-15-22(2)3)26-27(33(36)37-32(26)35)29(39-20-13-11-16-23(4)5)31(30)41-25-18-9-8-17-24(25)34/h8-9,17-18,22-23H,6-7,10-16,19-21,34H2,1-5H3,(H3,35,36,37)