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

Systemtic Name: N-ethyl-9-[4-[4-[2-[(3-methylphenyl)methyl]-3-oxidanylidene-1H-isoindol-5-yl]piperazin-1-yl]butyl]thioxanthene-9-carboxamide Openeye Name: N-ethyl-9-[4-[4-[2-(m-tolylmethyl)-3-oxo-isoindolin-5-yl]piperazin-1-yl]butyl]thioxanthene-9-carboxamide CAS Name: N-ethyl-9-[4-[4-[2-[(3-methylphenyl)methyl]-3-oxo-1H-isoindol-5-yl]-1-piperazinyl]butyl]-9-thioxanthenecarboxamide IUPAC Name: N-ethyl-9-[4-[4-[2-[(3-methylphenyl)methyl]-3-oxo-1H-isoindol-5-yl]piperazin-1-yl]butyl]thioxanthene-9-carboxamide Traditional Name: N-ethyl-9-[4-[4-[3-keto-2-(3-methylbenzyl)isoindolin-5-yl]piperazino]butyl]thioxanthene-9-carboxamide Formula: C40H44N4O2S MolecularWeight: 644.86796

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C1(C2=CC=CC=C2SC3=CC=CC=C31)CCCCN4CCN(CC4)C5=CC6=C(CN(C6=O)CC7=CC=CC(=C7)C)C=C5

Isomeric SMILES

CCNC(=O)C1(C2=CC=CC=C2SC3=CC=CC=C31)CCCCN4CCN(CC4)C5=CC6=C(CN(C6=O)CC7=CC=CC(=C7)C)C=C5

InChI

InChI=1S/C40H44N4O2S/c1-3-41-39(46)40(34-13-4-6-15-36(34)47-37-16-7-5-14-35(37)40)19-8-9-20-42-21-23-43(24-22-42)32-18-17-31-28-44(38(45)33(31)26-32)27-30-12-10-11-29(2)25-30/h4-7,10-18,25-26H,3,8-9,19-24,27-28H2,1-2H3,(H,41,46)