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

Systemtic Name: N-ethyl-9-[4-[4-[2-[(3-methoxyphenyl)methyl]-3-oxidanylidene-1H-isoindol-5-yl]piperazin-1-yl]butyl]thioxanthene-9-carboxamide Openeye Name: N-ethyl-9-[4-[4-[2-[(3-methoxyphenyl)methyl]-3-oxo-isoindolin-5-yl]piperazin-1-yl]butyl]thioxanthene-9-carboxamide CAS Name: N-ethyl-9-[4-[4-[2-[(3-methoxyphenyl)methyl]-3-oxo-1H-isoindol-5-yl]-1-piperazinyl]butyl]-9-thioxanthenecarboxamide IUPAC Name: N-ethyl-9-[4-[4-[2-[(3-methoxyphenyl)methyl]-3-oxo-1H-isoindol-5-yl]piperazin-1-yl]butyl]thioxanthene-9-carboxamide Traditional Name: N-ethyl-9-[4-[4-(3-keto-2-m-anisyl-isoindolin-5-yl)piperazino]butyl]thioxanthene-9-carboxamide Formula: C40H44N4O3S MolecularWeight: 660.86736

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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)OC)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)OC)C=C5

InChI

InChI=1S/C40H44N4O3S/c1-3-41-39(46)40(34-13-4-6-15-36(34)48-37-16-7-5-14-35(37)40)19-8-9-20-42-21-23-43(24-22-42)31-18-17-30-28-44(38(45)33(30)26-31)27-29-11-10-12-32(25-29)47-2/h4-7,10-18,25-26H,3,8-9,19-24,27-28H2,1-2H3,(H,41,46)