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

Systemtic Name: N-ethyl-9-[3-[4-[2-[(3-methylphenyl)methyl]-3-oxidanylidene-1H-isoindol-5-yl]piperazin-1-yl]propyl]thioxanthene-9-carboxamide Openeye Name: N-ethyl-9-[3-[4-[2-(m-tolylmethyl)-3-oxo-isoindolin-5-yl]piperazin-1-yl]propyl]thioxanthene-9-carboxamide CAS Name: N-ethyl-9-[3-[4-[2-[(3-methylphenyl)methyl]-3-oxo-1H-isoindol-5-yl]-1-piperazinyl]propyl]-9-thioxanthenecarboxamide IUPAC Name: N-ethyl-9-[3-[4-[2-[(3-methylphenyl)methyl]-3-oxo-1H-isoindol-5-yl]piperazin-1-yl]propyl]thioxanthene-9-carboxamide Traditional Name: N-ethyl-9-[3-[4-[3-keto-2-(3-methylbenzyl)isoindolin-5-yl]piperazino]propyl]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)CCCN4CCN(CC4)C5=CC6=C(CN(C6=O)CC7=CC=CC(=C7)C)C=C5

Isomeric SMILES

CCNC(=O)C1(C2=CC=CC=C2SC3=CC=CC=C31)CCCN4CCN(CC4)C5=CC6=C(CN(C6=O)CC7=CC=CC(=C7)C)C=C5

InChI

InChI=1S/C39H42N4O2S/c1-3-40-38(45)39(33-12-4-6-14-35(33)46-36-15-7-5-13-34(36)39)18-9-19-41-20-22-42(23-21-41)31-17-16-30-27-43(37(44)32(30)25-31)26-29-11-8-10-28(2)24-29/h4-8,10-17,24-25H,3,9,18-23,26-27H2,1-2H3,(H,40,45)