N-ethyl-9-[2-[(3-fluorophenyl)methyl]-3-oxidanylidene-1-piperazin-1-yl-7-propyl-isoindol-1-yl]thioxanthene-9-carboxamide

Systemtic Name: N-ethyl-9-[2-[(3-fluorophenyl)methyl]-3-oxidanylidene-1-piperazin-1-yl-7-propyl-isoindol-1-yl]thioxanthene-9-carboxamide Openeye Name: N-ethyl-9-[2-[(3-fluorophenyl)methyl]-3-oxo-1-piperazin-1-yl-7-propyl-isoindolin-1-yl]thioxanthene-9-carboxamide CAS Name: N-ethyl-9-[2-[(3-fluorophenyl)methyl]-3-oxo-1-(1-piperazinyl)-7-propyl-1-isoindolyl]-9-thioxanthenecarboxamide IUPAC Name: N-ethyl-9-[2-[(3-fluorophenyl)methyl]-3-oxo-1-piperazin-1-yl-7-propylisoindol-1-yl]thioxanthene-9-carboxamide Traditional Name: N-ethyl-9-[2-(3-fluorobenzyl)-3-keto-1-piperazino-7-propyl-isoindolin-1-yl]thioxanthene-9-carboxamide Formula: C38H39FN4O2S MolecularWeight: 634.805263

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=CC2=C1C(N(C2=O)CC3=CC(=CC=C3)F)(C4(C5=CC=CC=C5SC6=CC=CC=C64)C(=O)NCC)N7CCNCC7

Isomeric SMILES

CCCC1=CC=CC2=C1C(N(C2=O)CC3=CC(=CC=C3)F)(C4(C5=CC=CC=C5SC6=CC=CC=C64)C(=O)NCC)N7CCNCC7

InChI

InChI=1S/C38H39FN4O2S/c1-3-11-27-13-10-15-29-34(27)38(42-22-20-40-21-23-42,43(35(29)44)25-26-12-9-14-28(39)24-26)37(36(45)41-4-2)30-16-5-7-18-32(30)46-33-19-8-6-17-31(33)37/h5-10,12-19,24,40H,3-4,11,20-23,25H2,1-2H3,(H,41,45)