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

Systemtic Name: N-ethyl-9-[4-[1-oxidanylidene-2-(1-phenylethyl)-3-piperazin-1-yl-3,4-dihydroisoquinolin-4-yl]butyl]thioxanthene-9-carboxamide Openeye Name: N-ethyl-9-[4-[1-oxo-2-(1-phenylethyl)-3-piperazin-1-yl-3,4-dihydroisoquinolin-4-yl]butyl]thioxanthene-9-carboxamide CAS Name: N-ethyl-9-[4-[1-oxo-2-(1-phenylethyl)-3-(1-piperazinyl)-3,4-dihydroisoquinolin-4-yl]butyl]-9-thioxanthenecarboxamide IUPAC Name: N-ethyl-9-[4-[1-oxo-2-(1-phenylethyl)-3-piperazin-1-yl-3,4-dihydroisoquinolin-4-yl]butyl]thioxanthene-9-carboxamide Traditional Name: N-ethyl-9-[4-[1-keto-2-(1-phenylethyl)-3-piperazino-3,4-dihydroisoquinolin-4-yl]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)CCCCC4C(N(C(=O)C5=CC=CC=C45)C(C)C6=CC=CC=C6)N7CCNCC7

Isomeric SMILES

CCNC(=O)C1(C2=CC=CC=C2SC3=CC=CC=C31)CCCCC4C(N(C(=O)C5=CC=CC=C45)C(C)C6=CC=CC=C6)N7CCNCC7

InChI

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