6-(2-aminophenyl)sulfanyl-3-azanylidene-5-chloranyl-4,7-di(nonoxy)isoindol-1-amine

Systemtic Name: 6-(2-aminophenyl)sulfanyl-3-azanylidene-5-chloranyl-4,7-di(nonoxy)isoindol-1-amine Openeye Name: 6-(2-aminophenyl)sulfanyl-5-chloro-3-imino-4,7-di(nonoxy)isoindol-1-amine CAS Name: 6-[(2-aminophenyl)thio]-5-chloro-3-imino-4,7-di(nonoxy)-1-isoindolamine IUPAC Name: 6-(2-aminophenyl)sulfanyl-5-chloro-3-imino-4,7-di(nonoxy)isoindol-1-amine Traditional Name: [2-[[3-amino-6-chloro-1-imino-4,7-di(nonoxy)isoindol-5-yl]thio]phenyl]amine Formula: C32H47ClN4O2S MolecularWeight: 587.25918

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCOC1=C(C(=C(C2=C1C(=NC2=N)N)OCCCCCCCCC)Cl)SC3=CC=CC=C3N

Isomeric SMILES

CCCCCCCCCOC1=C(C(=C(C2=C1C(=NC2=N)N)OCCCCCCCCC)Cl)SC3=CC=CC=C3N

InChI

InChI=1S/C32H47ClN4O2S/c1-3-5-7-9-11-13-17-21-38-28-25-26(32(36)37-31(25)35)29(39-22-18-14-12-10-8-6-4-2)30(27(28)33)40-24-20-16-15-19-23(24)34/h15-16,19-20H,3-14,17-18,21-22,34H2,1-2H3,(H3,35,36,37)