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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C1(C2=CC=CC=C2SC3=CC=CC=C31)CCCCC4=CC=CC5=C4C(N(C5=O)C(C)C6=CC=CC=C6)N7CCNCC7

Isomeric SMILES

CCNC(=O)C1(C2=CC=CC=C2SC3=CC=CC=C31)CCCCC4=CC=CC5=C4C(N(C5=O)C(C)C6=CC=CC=C6)N7CCNCC7

InChI

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