N-ethyl-9-[2-[(3-fluorophenyl)methyl]-1-oxidanylidene-3-piperazin-1-yl-4-propyl-4H-isoquinolin-3-yl]thioxanthene-9-carboxamide

Systemtic Name: N-ethyl-9-[2-[(3-fluorophenyl)methyl]-1-oxidanylidene-3-piperazin-1-yl-4-propyl-4H-isoquinolin-3-yl]thioxanthene-9-carboxamide Openeye Name: N-ethyl-9-[2-[(3-fluorophenyl)methyl]-1-oxo-3-piperazin-1-yl-4-propyl-4H-isoquinolin-3-yl]thioxanthene-9-carboxamide CAS Name: N-ethyl-9-[2-[(3-fluorophenyl)methyl]-1-oxo-3-(1-piperazinyl)-4-propyl-4H-isoquinolin-3-yl]-9-thioxanthenecarboxamide IUPAC Name: N-ethyl-9-[2-[(3-fluorophenyl)methyl]-1-oxo-3-piperazin-1-yl-4-propyl-4H-isoquinolin-3-yl]thioxanthene-9-carboxamide Traditional Name: N-ethyl-9-[2-(3-fluorobenzyl)-1-keto-3-piperazino-4-propyl-4H-isoquinolin-3-yl]thioxanthene-9-carboxamide Formula: C39H41FN4O2S MolecularWeight: 648.831843

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1C2=CC=CC=C2C(=O)N(C1(C3(C4=CC=CC=C4SC5=CC=CC=C53)C(=O)NCC)N6CCNCC6)CC7=CC(=CC=C7)F

Isomeric SMILES

CCCC1C2=CC=CC=C2C(=O)N(C1(C3(C4=CC=CC=C4SC5=CC=CC=C53)C(=O)NCC)N6CCNCC6)CC7=CC(=CC=C7)F

InChI

InChI=1S/C39H41FN4O2S/c1-3-12-31-29-15-5-6-16-30(29)36(45)44(26-27-13-11-14-28(40)25-27)39(31,43-23-21-41-22-24-43)38(37(46)42-4-2)32-17-7-9-19-34(32)47-35-20-10-8-18-33(35)38/h5-11,13-20,25,31,41H,3-4,12,21-24,26H2,1-2H3,(H,42,46)