2-[5-azanyl-6-[(5-chloranyl-1H-indol-3-yl)sulfanyl]hexyl]isoindole-1,3-dione

Systemtic Name: 2-[5-azanyl-6-[(5-chloranyl-1H-indol-3-yl)sulfanyl]hexyl]isoindole-1,3-dione Openeye Name: 2-[5-amino-6-[(5-chloro-1H-indol-3-yl)sulfanyl]hexyl]isoindoline-1,3-dione CAS Name: 2-[5-amino-6-[(5-chloro-1H-indol-3-yl)thio]hexyl]isoindole-1,3-dione IUPAC Name: 2-[5-amino-6-[(5-chloro-1H-indol-3-yl)sulfanyl]hexyl]isoindole-1,3-dione Traditional Name: 2-[5-amino-6-[(5-chloro-1H-indol-3-yl)thio]hexyl]isoindoline-1,3-quinone Formula: C22H22ClN3O2S MolecularWeight: 427.94698

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCC(CSC3=CNC4=C3C=C(C=C4)Cl)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCC(CSC3=CNC4=C3C=C(C=C4)Cl)N

InChI

InChI=1S/C22H22ClN3O2S/c23-14-8-9-19-18(11-14)20(12-25-19)29-13-15(24)5-3-4-10-26-21(27)16-6-1-2-7-17(16)22(26)28/h1-2,6-9,11-12,15,25H,3-5,10,13,24H2