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

Systemtic Name: 9-[3-[4-[2-[(3-chlorophenyl)methyl]-1-oxidanylidene-3,4-dihydroisoquinolin-7-yl]piperazin-1-yl]propyl]-N-ethyl-thioxanthene-9-carboxamide Openeye Name: 9-[3-[4-[2-[(3-chlorophenyl)methyl]-1-oxo-3,4-dihydroisoquinolin-7-yl]piperazin-1-yl]propyl]-N-ethyl-thioxanthene-9-carboxamide CAS Name: 9-[3-[4-[2-[(3-chlorophenyl)methyl]-1-oxo-3,4-dihydroisoquinolin-7-yl]-1-piperazinyl]propyl]-N-ethyl-9-thioxanthenecarboxamide IUPAC Name: 9-[3-[4-[2-[(3-chlorophenyl)methyl]-1-oxo-3,4-dihydroisoquinolin-7-yl]piperazin-1-yl]propyl]-N-ethylthioxanthene-9-carboxamide Traditional Name: 9-[3-[4-[2-(3-chlorobenzyl)-1-keto-3,4-dihydroisoquinolin-7-yl]piperazino]propyl]-N-ethyl-thioxanthene-9-carboxamide Formula: C39H41ClN4O2S MolecularWeight: 665.28644

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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(CCN(C6=O)CC7=CC(=CC=C7)Cl)C=C5

Isomeric SMILES

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

InChI

InChI=1S/C39H41ClN4O2S/c1-2-41-38(46)39(33-11-3-5-13-35(33)47-36-14-6-4-12-34(36)39)18-8-19-42-21-23-43(24-22-42)31-16-15-29-17-20-44(37(45)32(29)26-31)27-28-9-7-10-30(40)25-28/h3-7,9-16,25-26H,2,8,17-24,27H2,1H3,(H,41,46)