9-[4-[4-[2-[(3-chlorophenyl)methyl]-1-oxidanylidene-3,4-dihydroisoquinolin-7-yl]piperazin-1-yl]butyl]-N-[2,2,2-tris(fluoranyl)ethyl]thioxanthene-9-carboxamide

Systemtic Name: 9-[4-[4-[2-[(3-chlorophenyl)methyl]-1-oxidanylidene-3,4-dihydroisoquinolin-7-yl]piperazin-1-yl]butyl]-N-[2,2,2-tris(fluoranyl)ethyl]thioxanthene-9-carboxamide Openeye Name: 9-[4-[4-[2-[(3-chlorophenyl)methyl]-1-oxo-3,4-dihydroisoquinolin-7-yl]piperazin-1-yl]butyl]-N-(2,2,2-trifluoroethyl)thioxanthene-9-carboxamide CAS Name: 9-[4-[4-[2-[(3-chlorophenyl)methyl]-1-oxo-3,4-dihydroisoquinolin-7-yl]-1-piperazinyl]butyl]-N-(2,2,2-trifluoroethyl)-9-thioxanthenecarboxamide IUPAC Name: 9-[4-[4-[2-[(3-chlorophenyl)methyl]-1-oxo-3,4-dihydroisoquinolin-7-yl]piperazin-1-yl]butyl]-N-(2,2,2-trifluoroethyl)thioxanthene-9-carboxamide Traditional Name: 9-[4-[4-[2-(3-chlorobenzyl)-1-keto-3,4-dihydroisoquinolin-7-yl]piperazino]butyl]-N-(2,2,2-trifluoroethyl)thioxanthene-9-carboxamide Formula: C40H40ClF3N4O2S MolecularWeight: 733.28441

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)C2=C1C=CC(=C2)N3CCN(CC3)CCCCC4(C5=CC=CC=C5SC6=CC=CC=C64)C(=O)NCC(F)(F)F)CC7=CC(=CC=C7)Cl

Isomeric SMILES

C1CN(C(=O)C2=C1C=CC(=C2)N3CCN(CC3)CCCCC4(C5=CC=CC=C5SC6=CC=CC=C64)C(=O)NCC(F)(F)F)CC7=CC(=CC=C7)Cl

InChI

InChI=1S/C40H40ClF3N4O2S/c41-30-9-7-8-28(24-30)26-48-19-16-29-14-15-31(25-32(29)37(48)49)47-22-20-46(21-23-47)18-6-5-17-39(38(50)45-27-40(42,43)44)33-10-1-3-12-35(33)51-36-13-4-2-11-34(36)39/h1-4,7-15,24-25H,5-6,16-23,26-27H2,(H,45,50)