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

Systemtic Name: 5-(2-aminophenyl)sulfanyl-3-azanylidene-6-butylsulfanyl-4,7-bis(3-methylbutoxy)isoindol-1-amine Openeye Name: 5-(2-aminophenyl)sulfanyl-6-butylsulfanyl-3-imino-4,7-diisopentyloxy-isoindol-1-amine CAS Name: 5-[(2-aminophenyl)thio]-6-(butylthio)-3-imino-4,7-bis(3-methylbutoxy)-1-isoindolamine IUPAC Name: 5-(2-aminophenyl)sulfanyl-6-butylsulfanyl-3-imino-4,7-bis(3-methylbutoxy)isoindol-1-amine Traditional Name: [2-[[1-amino-6-(butylthio)-3-imino-4,7-diisoamoxy-isoindol-5-yl]thio]phenyl]amine Formula: C28H40N4O2S2 MolecularWeight: 528.7728

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=C(C2=C(C(=C1SC3=CC=CC=C3N)OCCC(C)C)C(=N)N=C2N)OCCC(C)C

Isomeric SMILES

CCCCSC1=C(C2=C(C(=C1SC3=CC=CC=C3N)OCCC(C)C)C(=N)N=C2N)OCCC(C)C

InChI

InChI=1S/C28H40N4O2S2/c1-6-7-16-35-25-23(33-14-12-17(2)3)21-22(28(31)32-27(21)30)24(34-15-13-18(4)5)26(25)36-20-11-9-8-10-19(20)29/h8-11,17-18H,6-7,12-16,29H2,1-5H3,(H3,30,31,32)