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

Systemtic Name: N-ethyl-9-[3-[4-[3-oxidanylidene-2-(phenylmethyl)-1H-isoindol-5-yl]piperazin-1-yl]propyl]thioxanthene-9-carboxamide Openeye Name: 9-[3-[4-(2-benzyl-3-oxo-isoindolin-5-yl)piperazin-1-yl]propyl]-N-ethyl-thioxanthene-9-carboxamide CAS Name: N-ethyl-9-[3-[4-[3-oxo-2-(phenylmethyl)-1H-isoindol-5-yl]-1-piperazinyl]propyl]-9-thioxanthenecarboxamide IUPAC Name: 9-[3-[4-(2-benzyl-3-oxo-1H-isoindol-5-yl)piperazin-1-yl]propyl]-N-ethylthioxanthene-9-carboxamide Traditional Name: 9-[3-[4-(2-benzyl-3-keto-isoindolin-5-yl)piperazino]propyl]-N-ethyl-thioxanthene-9-carboxamide Formula: C38H40N4O2S MolecularWeight: 616.8148

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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)CC7=CC=CC=C7)C=C5

Isomeric SMILES

CCNC(=O)C1(C2=CC=CC=C2SC3=CC=CC=C31)CCCN4CCN(CC4)C5=CC6=C(CN(C6=O)CC7=CC=CC=C7)C=C5

InChI

InChI=1S/C38H40N4O2S/c1-2-39-37(44)38(32-13-6-8-15-34(32)45-35-16-9-7-14-33(35)38)19-10-20-40-21-23-41(24-22-40)30-18-17-29-27-42(36(43)31(29)25-30)26-28-11-4-3-5-12-28/h3-9,11-18,25H,2,10,19-24,26-27H2,1H3,(H,39,44)