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

Systemtic Name: N-ethyl-9-[3-[4-[2-(oxan-2-ylmethyl)-3-oxidanylidene-1H-isoindol-5-yl]piperazin-1-yl]propyl]thioxanthene-9-carboxamide Openeye Name: N-ethyl-9-[3-[4-[3-oxo-2-(tetrahydropyran-2-ylmethyl)isoindolin-5-yl]piperazin-1-yl]propyl]thioxanthene-9-carboxamide CAS Name: N-ethyl-9-[3-[4-[2-(2-oxanylmethyl)-3-oxo-1H-isoindol-5-yl]-1-piperazinyl]propyl]-9-thioxanthenecarboxamide IUPAC Name: N-ethyl-9-[3-[4-[2-(oxan-2-ylmethyl)-3-oxo-1H-isoindol-5-yl]piperazin-1-yl]propyl]thioxanthene-9-carboxamide Traditional Name: N-ethyl-9-[3-[4-[3-keto-2-(tetrahydropyran-2-ylmethyl)isoindolin-5-yl]piperazino]propyl]thioxanthene-9-carboxamide Formula: C37H44N4O3S MolecularWeight: 624.83526

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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)CC7CCCCO7)C=C5

Isomeric SMILES

CCNC(=O)C1(C2=CC=CC=C2SC3=CC=CC=C31)CCCN4CCN(CC4)C5=CC6=C(CN(C6=O)CC7CCCCO7)C=C5

InChI

InChI=1S/C37H44N4O3S/c1-2-38-36(43)37(31-11-3-5-13-33(31)45-34-14-6-4-12-32(34)37)17-9-18-39-19-21-40(22-20-39)28-16-15-27-25-41(35(42)30(27)24-28)26-29-10-7-8-23-44-29/h3-6,11-16,24,29H,2,7-10,17-23,25-26H2,1H3,(H,38,43)