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

Systemtic Name: N-ethyl-9-[3-[4-[1-oxidanylidene-2-(1-phenylethyl)-3,4-dihydroisoquinolin-7-yl]piperazin-1-yl]propyl]thioxanthene-9-carboxamide Openeye Name: N-ethyl-9-[3-[4-[1-oxo-2-(1-phenylethyl)-3,4-dihydroisoquinolin-7-yl]piperazin-1-yl]propyl]thioxanthene-9-carboxamide CAS Name: N-ethyl-9-[3-[4-[1-oxo-2-(1-phenylethyl)-3,4-dihydroisoquinolin-7-yl]-1-piperazinyl]propyl]-9-thioxanthenecarboxamide IUPAC Name: N-ethyl-9-[3-[4-[1-oxo-2-(1-phenylethyl)-3,4-dihydroisoquinolin-7-yl]piperazin-1-yl]propyl]thioxanthene-9-carboxamide Traditional Name: N-ethyl-9-[3-[4-[1-keto-2-(1-phenylethyl)-3,4-dihydroisoquinolin-7-yl]piperazino]propyl]thioxanthene-9-carboxamide Formula: C40H44N4O2S MolecularWeight: 644.86796

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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)C(C)C7=CC=CC=C7)C=C5

Isomeric SMILES

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

InChI

InChI=1S/C40H44N4O2S/c1-3-41-39(46)40(34-14-7-9-16-36(34)47-37-17-10-8-15-35(37)40)21-11-22-42-24-26-43(27-25-42)32-19-18-31-20-23-44(38(45)33(31)28-32)29(2)30-12-5-4-6-13-30/h4-10,12-19,28-29H,3,11,20-27H2,1-2H3,(H,41,46)