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

Systemtic Name: N-ethyl-9-[4-[4-[1-oxidanylidene-2-(1-phenylethyl)-3,4-dihydroisoquinolin-7-yl]piperazin-1-yl]butyl]thioxanthene-9-carboxamide Openeye Name: N-ethyl-9-[4-[4-[1-oxo-2-(1-phenylethyl)-3,4-dihydroisoquinolin-7-yl]piperazin-1-yl]butyl]thioxanthene-9-carboxamide CAS Name: N-ethyl-9-[4-[4-[1-oxo-2-(1-phenylethyl)-3,4-dihydroisoquinolin-7-yl]-1-piperazinyl]butyl]-9-thioxanthenecarboxamide IUPAC Name: N-ethyl-9-[4-[4-[1-oxo-2-(1-phenylethyl)-3,4-dihydroisoquinolin-7-yl]piperazin-1-yl]butyl]thioxanthene-9-carboxamide Traditional Name: N-ethyl-9-[4-[4-[1-keto-2-(1-phenylethyl)-3,4-dihydroisoquinolin-7-yl]piperazino]butyl]thioxanthene-9-carboxamide Formula: C41H46N4O2S MolecularWeight: 658.89454

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C1(C2=CC=CC=C2SC3=CC=CC=C31)CCCCN4CCN(CC4)C5=CC6=C(CCN(C6=O)C(C)C7=CC=CC=C7)C=C5

Isomeric SMILES

CCNC(=O)C1(C2=CC=CC=C2SC3=CC=CC=C31)CCCCN4CCN(CC4)C5=CC6=C(CCN(C6=O)C(C)C7=CC=CC=C7)C=C5

InChI

InChI=1S/C41H46N4O2S/c1-3-42-40(47)41(35-15-7-9-17-37(35)48-38-18-10-8-16-36(38)41)22-11-12-23-43-25-27-44(28-26-43)33-20-19-32-21-24-45(39(46)34(32)29-33)30(2)31-13-5-4-6-14-31/h4-10,13-20,29-30H,3,11-12,21-28H2,1-2H3,(H,42,47)