9-[3-[4-(2-cyclohexyl-3-oxidanylidene-1H-isoindol-5-yl)piperazin-1-yl]propyl]-N-ethyl-thioxanthene-9-carboxamide

Systemtic Name: 9-[3-[4-(2-cyclohexyl-3-oxidanylidene-1H-isoindol-5-yl)piperazin-1-yl]propyl]-N-ethyl-thioxanthene-9-carboxamide Openeye Name: 9-[3-[4-(2-cyclohexyl-3-oxo-isoindolin-5-yl)piperazin-1-yl]propyl]-N-ethyl-thioxanthene-9-carboxamide CAS Name: 9-[3-[4-(2-cyclohexyl-3-oxo-1H-isoindol-5-yl)-1-piperazinyl]propyl]-N-ethyl-9-thioxanthenecarboxamide IUPAC Name: 9-[3-[4-(2-cyclohexyl-3-oxo-1H-isoindol-5-yl)piperazin-1-yl]propyl]-N-ethylthioxanthene-9-carboxamide Traditional Name: 9-[3-[4-(2-cyclohexyl-3-keto-isoindolin-5-yl)piperazino]propyl]-N-ethyl-thioxanthene-9-carboxamide Formula: C37H44N4O2S MolecularWeight: 608.83586

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C1(C2=CC=CC=C2SC3=CC=CC=C31)CCCN4CCN(CC4)C5=CC6=C(CN(C6=O)C7CCCCC7)C=C5

Isomeric SMILES

CCNC(=O)C1(C2=CC=CC=C2SC3=CC=CC=C31)CCCN4CCN(CC4)C5=CC6=C(CN(C6=O)C7CCCCC7)C=C5

InChI

InChI=1S/C37H44N4O2S/c1-2-38-36(43)37(31-13-6-8-15-33(31)44-34-16-9-7-14-32(34)37)19-10-20-39-21-23-40(24-22-39)29-18-17-27-26-41(35(42)30(27)25-29)28-11-4-3-5-12-28/h6-9,13-18,25,28H,2-5,10-12,19-24,26H2,1H3,(H,38,43)