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

Systemtic Name: 6-(2-aminophenyl)sulfanyl-3-azanylidene-5-chloranyl-4-(3-methylbutoxy)-7-octoxy-isoindol-1-amine Openeye Name: 6-(2-aminophenyl)sulfanyl-5-chloro-3-imino-4-isopentyloxy-7-octoxy-isoindol-1-amine CAS Name: 6-[(2-aminophenyl)thio]-5-chloro-3-imino-4-(3-methylbutoxy)-7-octoxy-1-isoindolamine IUPAC Name: 6-(2-aminophenyl)sulfanyl-5-chloro-3-imino-4-(3-methylbutoxy)-7-octoxyisoindol-1-amine Traditional Name: [2-[(3-amino-6-chloro-1-imino-7-isoamoxy-4-octoxy-isoindol-5-yl)thio]phenyl]amine Formula: C27H37ClN4O2S MolecularWeight: 517.12628

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H37ClN4O2S/c1-4-5-6-7-8-11-15-33-24-21-20(26(30)32-27(21)31)23(34-16-14-17(2)3)22(28)25(24)35-19-13-10-9-12-18(19)29/h9-10,12-13,17H,4-8,11,14-16,29H2,1-3H3,(H3,30,31,32)