5-(2-aminophenyl)sulfanyl-3-azanylidene-6-dodecylsulfanyl-4,7-diethoxy-isoindol-1-amine

Systemtic Name: 5-(2-aminophenyl)sulfanyl-3-azanylidene-6-dodecylsulfanyl-4,7-diethoxy-isoindol-1-amine Openeye Name: 5-(2-aminophenyl)sulfanyl-6-dodecylsulfanyl-4,7-diethoxy-3-imino-isoindol-1-amine CAS Name: 5-[(2-aminophenyl)thio]-6-(dodecylthio)-4,7-diethoxy-3-imino-1-isoindolamine IUPAC Name: 5-(2-aminophenyl)sulfanyl-6-dodecylsulfanyl-4,7-diethoxy-3-iminoisoindol-1-amine Traditional Name: [2-[[1-amino-4,7-diethoxy-3-imino-6-(laurylthio)isoindol-5-yl]thio]phenyl]amine Formula: C30H44N4O2S2 MolecularWeight: 556.82596

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCSC1=C(C2=C(C(=C1SC3=CC=CC=C3N)OCC)C(=N)N=C2N)OCC

Isomeric SMILES

CCCCCCCCCCCCSC1=C(C2=C(C(=C1SC3=CC=CC=C3N)OCC)C(=N)N=C2N)OCC

InChI

InChI=1S/C30H44N4O2S2/c1-4-7-8-9-10-11-12-13-14-17-20-37-27-25(35-5-2)23-24(30(33)34-29(23)32)26(36-6-3)28(27)38-22-19-16-15-18-21(22)31/h15-16,18-19H,4-14,17,20,31H2,1-3H3,(H3,32,33,34)