5-(2-aminophenyl)sulfanyl-3-azanylidene-6-heptylsulfanyl-4,7-bis(2-propan-2-yloxyethoxy)isoindol-1-amine

Systemtic Name: 5-(2-aminophenyl)sulfanyl-3-azanylidene-6-heptylsulfanyl-4,7-bis(2-propan-2-yloxyethoxy)isoindol-1-amine Openeye Name: 5-(2-aminophenyl)sulfanyl-6-heptylsulfanyl-3-imino-4,7-bis(2-isopropoxyethoxy)isoindol-1-amine CAS Name: 5-[(2-aminophenyl)thio]-6-(heptylthio)-3-imino-4,7-bis(2-propan-2-yloxyethoxy)-1-isoindolamine IUPAC Name: 5-(2-aminophenyl)sulfanyl-6-heptylsulfanyl-3-imino-4,7-bis(2-propan-2-yloxyethoxy)isoindol-1-amine Traditional Name: [2-[[1-amino-6-(heptylthio)-3-imino-4,7-bis(2-isopropoxyethoxy)isoindol-5-yl]thio]phenyl]amine Formula: C31H46N4O4S2 MolecularWeight: 602.85134

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCSC1=C(C2=C(C(=C1SC3=CC=CC=C3N)OCCOC(C)C)C(=N)N=C2N)OCCOC(C)C

Isomeric SMILES

CCCCCCCSC1=C(C2=C(C(=C1SC3=CC=CC=C3N)OCCOC(C)C)C(=N)N=C2N)OCCOC(C)C

InChI

InChI=1S/C31H46N4O4S2/c1-6-7-8-9-12-19-40-28-26(38-17-15-36-20(2)3)24-25(31(34)35-30(24)33)27(39-18-16-37-21(4)5)29(28)41-23-14-11-10-13-22(23)32/h10-11,13-14,20-21H,6-9,12,15-19,32H2,1-5H3,(H3,33,34,35)