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

Systemtic Name: 6-(2-aminophenyl)sulfanyl-3-azanylidene-5-chloranyl-4,7-dioctoxy-isoindol-1-amine Openeye Name: 6-(2-aminophenyl)sulfanyl-5-chloro-3-imino-4,7-dioctoxy-isoindol-1-amine CAS Name: 6-[(2-aminophenyl)thio]-5-chloro-3-imino-4,7-dioctoxy-1-isoindolamine IUPAC Name: 6-(2-aminophenyl)sulfanyl-5-chloro-3-imino-4,7-dioctoxyisoindol-1-amine Traditional Name: [2-[(3-amino-6-chloro-1-imino-4,7-dioctoxy-isoindol-5-yl)thio]phenyl]amine Formula: C30H43ClN4O2S MolecularWeight: 559.20602

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C(=C(C2=C1C(=NC2=N)N)OCCCCCCCC)Cl)SC3=CC=CC=C3N

Isomeric SMILES

CCCCCCCCOC1=C(C(=C(C2=C1C(=NC2=N)N)OCCCCCCCC)Cl)SC3=CC=CC=C3N

InChI

InChI=1S/C30H43ClN4O2S/c1-3-5-7-9-11-15-19-36-26-23-24(30(34)35-29(23)33)27(37-20-16-12-10-8-6-4-2)28(25(26)31)38-22-18-14-13-17-21(22)32/h13-14,17-18H,3-12,15-16,19-20,32H2,1-2H3,(H3,33,34,35)