5-(2-aminophenyl)sulfanyl-3-azanylidene-4,7-di(pentan-2-yloxy)-6-propylsulfanyl-isoindol-1-amine

Systemtic Name: 5-(2-aminophenyl)sulfanyl-3-azanylidene-4,7-di(pentan-2-yloxy)-6-propylsulfanyl-isoindol-1-amine Openeye Name: 5-(2-aminophenyl)sulfanyl-3-imino-4,7-bis(1-methylbutoxy)-6-propylsulfanyl-isoindol-1-amine CAS Name: 5-[(2-aminophenyl)thio]-3-imino-4,7-di(pentan-2-yloxy)-6-(propylthio)-1-isoindolamine IUPAC Name: 5-(2-aminophenyl)sulfanyl-3-imino-4,7-di(pentan-2-yloxy)-6-propylsulfanylisoindol-1-amine Traditional Name: [2-[[1-amino-3-imino-4,7-bis(1-methylbutoxy)-6-(propylthio)isoindol-5-yl]thio]phenyl]amine Formula: C27H38N4O2S2 MolecularWeight: 514.74622

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)OC1=C(C(=C(C2=C1C(=NC2=N)N)OC(C)CCC)SC3=CC=CC=C3N)SCCC

Isomeric SMILES

CCCC(C)OC1=C(C(=C(C2=C1C(=NC2=N)N)OC(C)CCC)SC3=CC=CC=C3N)SCCC

InChI

InChI=1S/C27H38N4O2S2/c1-6-11-16(4)32-22-20-21(27(30)31-26(20)29)23(33-17(5)12-7-2)25(24(22)34-15-8-3)35-19-14-10-9-13-18(19)28/h9-10,13-14,16-17H,6-8,11-12,15,28H2,1-5H3,(H3,29,30,31)