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

Systemtic Name: N-ethyl-9-[4-[4-[1-oxidanylidene-2-(phenylmethyl)-3,4-dihydroisoquinolin-7-yl]piperazin-1-yl]butyl]thioxanthene-9-carboxamide Openeye Name: 9-[4-[4-(2-benzyl-1-oxo-3,4-dihydroisoquinolin-7-yl)piperazin-1-yl]butyl]-N-ethyl-thioxanthene-9-carboxamide CAS Name: N-ethyl-9-[4-[4-[1-oxo-2-(phenylmethyl)-3,4-dihydroisoquinolin-7-yl]-1-piperazinyl]butyl]-9-thioxanthenecarboxamide IUPAC Name: 9-[4-[4-(2-benzyl-1-oxo-3,4-dihydroisoquinolin-7-yl)piperazin-1-yl]butyl]-N-ethylthioxanthene-9-carboxamide Traditional Name: 9-[4-[4-(2-benzyl-1-keto-3,4-dihydroisoquinolin-7-yl)piperazino]butyl]-N-ethyl-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)CCCCN4CCN(CC4)C5=CC6=C(CCN(C6=O)CC7=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)CC7=CC=CC=C7)C=C5

InChI

InChI=1S/C40H44N4O2S/c1-2-41-39(46)40(34-14-6-8-16-36(34)47-37-17-9-7-15-35(37)40)21-10-11-22-42-24-26-43(27-25-42)32-19-18-31-20-23-44(38(45)33(31)28-32)29-30-12-4-3-5-13-30/h3-9,12-19,28H,2,10-11,20-27,29H2,1H3,(H,41,46)