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

Systemtic Name: N-ethyl-9-[4-[4-[2-(oxan-2-ylmethyl)-3-oxidanylidene-1H-isoindol-5-yl]piperazin-1-yl]butyl]thioxanthene-9-carboxamide Openeye Name: N-ethyl-9-[4-[4-[3-oxo-2-(tetrahydropyran-2-ylmethyl)isoindolin-5-yl]piperazin-1-yl]butyl]thioxanthene-9-carboxamide CAS Name: N-ethyl-9-[4-[4-[2-(2-oxanylmethyl)-3-oxo-1H-isoindol-5-yl]-1-piperazinyl]butyl]-9-thioxanthenecarboxamide IUPAC Name: N-ethyl-9-[4-[4-[2-(oxan-2-ylmethyl)-3-oxo-1H-isoindol-5-yl]piperazin-1-yl]butyl]thioxanthene-9-carboxamide Traditional Name: N-ethyl-9-[4-[4-[3-keto-2-(tetrahydropyran-2-ylmethyl)isoindolin-5-yl]piperazino]butyl]thioxanthene-9-carboxamide Formula: C38H46N4O3S MolecularWeight: 638.86184

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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)CC7CCCCO7)C=C5

Isomeric SMILES

CCNC(=O)C1(C2=CC=CC=C2SC3=CC=CC=C31)CCCCN4CCN(CC4)C5=CC6=C(CN(C6=O)CC7CCCCO7)C=C5

InChI

InChI=1S/C38H46N4O3S/c1-2-39-37(44)38(32-12-3-5-14-34(32)46-35-15-6-4-13-33(35)38)18-8-9-19-40-20-22-41(23-21-40)29-17-16-28-26-42(36(43)31(28)25-29)27-30-11-7-10-24-45-30/h3-6,12-17,25,30H,2,7-11,18-24,26-27H2,1H3,(H,39,44)