N-ethyl-9-[4-[4-[3-oxidanylidene-2-(phenylmethyl)-1H-isoindol-5-yl]piperazin-1-yl]butyl]thioxanthene-9-carboxamide

Systemtic Name: N-ethyl-9-[4-[4-[3-oxidanylidene-2-(phenylmethyl)-1H-isoindol-5-yl]piperazin-1-yl]butyl]thioxanthene-9-carboxamide Openeye Name: 9-[4-[4-(2-benzyl-3-oxo-isoindolin-5-yl)piperazin-1-yl]butyl]-N-ethyl-thioxanthene-9-carboxamide CAS Name: N-ethyl-9-[4-[4-[3-oxo-2-(phenylmethyl)-1H-isoindol-5-yl]-1-piperazinyl]butyl]-9-thioxanthenecarboxamide IUPAC Name: 9-[4-[4-(2-benzyl-3-oxo-1H-isoindol-5-yl)piperazin-1-yl]butyl]-N-ethylthioxanthene-9-carboxamide Traditional Name: 9-[4-[4-(2-benzyl-3-keto-isoindolin-5-yl)piperazino]butyl]-N-ethyl-thioxanthene-9-carboxamide Formula: C39H42N4O2S MolecularWeight: 630.84138

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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(CN(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(CN(C6=O)CC7=CC=CC=C7)C=C5

InChI

InChI=1S/C39H42N4O2S/c1-2-40-38(45)39(33-14-6-8-16-35(33)46-36-17-9-7-15-34(36)39)20-10-11-21-41-22-24-42(25-23-41)31-19-18-30-28-43(37(44)32(30)26-31)27-29-12-4-3-5-13-29/h3-9,12-19,26H,2,10-11,20-25,27-28H2,1H3,(H,40,45)